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Kendall Houk

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TOP 3
Yvonne Schmidt; Kendall N Houk; Jonathan K Lam; Hung V Pham; Christopher D Vanderwal
Studies on the himbert intramolecular arene/allene diels-alder cycloaddition. Mechanistic studies and expansion of scope to all-carbon tethers.
Xin Hong; Barry M Trost; Kendall N Houk
Mechanism and Origins of Selectivity in Ru(II)-Catalyzed Intramolecular (5+2) Cycloadditions and Ene Reactions of Vinylcyclopropanes and Alkynes from Density Functional Theory.
Gonzalo Jiménez-Osés; Jared T Shaw; Anthony J Brockway; Kendall N Houk
Mechanism of alkoxy groups substitution by grignard reagents on aromatic rings and experimental verification of theoretical predictions of anomalous reactions.

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2013: Yvonne Schmidt; Kendall N Houk; Jonathan K Lam; Hung V Pham; Christopher D Vanderwal
Studies on the himbert intramolecular arene/allene diels-alder cycloaddition. Mechanistic studies and expansion of scope to all-carbon tethers.
Journal of the American Chemical Society 2013;135(19):7339-48.
2013: Xin Hong; Barry M Trost; Kendall N Houk
Mechanism and Origins of Selectivity in Ru(II)-Catalyzed Intramolecular (5+2) Cycloadditions and Ene Reactions of Vinylcyclopropanes and Alkynes from Density Functional Theory.
Journal of the American Chemical Society 2013;135(17):6588-600.
2013: Gonzalo Jiménez-Osés; Jared T Shaw; Anthony J Brockway; Kendall N Houk
Mechanism of alkoxy groups substitution by grignard reagents on aromatic rings and experimental verification of theoretical predictions of anomalous reactions.
Journal of the American Chemical Society 2013;135(17):6633-42.
2013: Martin Breugst; Albert Eschenmoser; Kendall N Houk
Theoretical Exploration of the Mechanism of Riboflavin Formation from 6,7-Dimethyl-8-ribityllumazine: Nucleophilic Catalysis, Hydride Transfer, Hydrogen Atom Transfer, or Nucleophilic Addition?
Journal of the American Chemical Society 2013;135(17):6658-68.
2013: Arne Dieckmann; Alena Yu Platonova; Matthew T Richers; Daniel Seidel; Chen Zhang; Kendall N Houk
Metal-Free α-Amination of Secondary Amines: Computational and Experimental Evidence for Azaquinone Methide and Azomethine Ylide Intermediates.
The Journal of organic chemistry 2013;78(8):4132-44.
2013: Lufeng Zou; Phil S Baran; Albert Eschenmoser; Timothy R Newhouse; Robert S Paton; Kendall N Houk
Enhanced Reactivity in Dioxirane C-H Oxidations via Strain Release: A Computational and Experimental Study.
The Journal of organic chemistry 2013;78(8):4037-48.
2013: Hiroshi Miyazaki; Garik Mkrtumyan; Thay Ung; Xiufang Xu; Myles B Herbert; Kendall N Houk; Benjamin K Keitz; Peng Liu; Xiaofei Dong; Robert H Grubbs
Z-selective ethenolysis with a ruthenium metathesis catalyst: experiment and theory.
Journal of the American Chemical Society 2013;135(15):5848-58.
2013: Elizabeth H Krenske; Jian Huang; Yunfei Du; Shuzhong He; Kendall N Houk; Richard P Hsung
Intramolecular oxyallyl-carbonyl (3 + 2) cycloadditions.
Journal of the American Chemical Society 2013;135(14):5242-5.
2013: Ashay Patel; Ohyun Kwon; Gregg A Barcan; Kendall N Houk
Origins of 1,6-stereoinduction in torquoselective 6π electrocyclizations.
Journal of the American Chemical Society 2013;135(12):4878-83.
2013: Huiliang Wang; Arjan Pieter Zoombelt; Lei Fang; Kendall N Houk; Gonzalo Jiménez-Osés; Peng Liu; Jianguo Mei; Sílvia Osuna; Kristin Schmidt; Anatoliy N Sokolov; Christopher J Tassone; Michael F Toney; Zhenan Bao
Scalable and selective dispersion of semiconducting arc-discharged carbon nanotubes by dithiafulvalene/thiophene copolymers for thin film transistors.
ACS nano 2013;7(3):2659-68.
2013: Christopher J Rosenker; Kendall N Houk; Elizabeth H Krenske; Peter Wipf
Influence of base and structure in the reversible covalent conjugate addition of thiol to polycyclic enone scaffolds.
Organic letters 2013;15(5):1076-9.
2013: Yunfei Du; Kendall N Houk; Elizabeth H Krenske; Andrew G Lohse; Jennifer E Antoline; Richard P Hsung
Control of regioselectivity and stereoselectivity in (4 + 3) cycloadditions of chiral oxyallyls with unsymmetrically disubstituted furans.
The Journal of organic chemistry 2013;78(5):1753-9.
2013: Steven A Lopez; Kendall N Houk
Alkene distortion energies and torsional effects control reactivities, and stereoselectivities of azide cycloadditions to norbornene and substituted norbornenes.
The Journal of organic chemistry 2013;78(5):1778-83.
2013: Arne Dieckmann; Martin Breugst; Kendall N Houk
Zwitterions and unobserved intermediates in organocatalytic Diels-Alder reactions of linear and cross-conjugated trienamines.
Journal of the American Chemical Society 2013;135(8):3237-42.
2013: Steven A Lopez; Morton E Munk; Kendall N Houk
Mechanisms and transition states of 1,3-dipolar cycloadditions of phenyl azide with enamines: a computational analysis.
The Journal of organic chemistry 2013;78(4):1576-82.
2013: Hao Wang; Pankaj Jain; Jon C Antilla; Kendall N Houk
Origins of stereoselectivities in chiral phosphoric acid catalyzed allylborations and propargylations of aldehydes.
The Journal of organic chemistry 2013;78(3):1208-15.
2013: Xin Hong; Peng Liu; Kendall N Houk
Mechanism and origins of ligand-controlled selectivities in [Ni(NHC)]-catalyzed intramolecular (5 + 2) cycloadditions and homo-ene reactions: a theoretical study.
Journal of the American Chemical Society 2013;135(4):1456-62.
2013: Hongkun Lin; Wenbo Pei; Hao Wang; Kendall N Houk; Isaac J Krauss
Enantioselective homocrotylboration of aliphatic aldehydes.
Journal of the American Chemical Society 2013;135(1):82-5.
2013: Hao Wang; Fang Liu; Roger C Helgeson; Kendall N Houk
Reversible photochemically gated transformation of a hemicarcerand to a carcerand.
Angewandte Chemie (International ed. in English) 2013;52(2):655-9.
2012: Ricardo A Matute; Kendall N Houk
The triplet surface of the Zimmerman di-π-methane rearrangement of dibenzobarrelene.
Angewandte Chemie (International ed. in English) 2012;51(52):13097-100.
2012: Gregg A Barcan; Kendall N Houk; Ashay Patel; Ohyun Kwon
A torquoselective 6π electrocyclization approach to reserpine alkaloids.
Organic letters 2012;14(21):5388-91.
2012: Yong Liang; Fang Liu; Steven A Lopez; Joel L Mackey; Kendall N Houk
Control and design of mutual orthogonality in bioorthogonal cycloadditions.
Journal of the American Chemical Society 2012;134(43):17904-7.
2012: Xing Yang; Wei Zhang; Valentina D Bumbu; Lei Guo; Kendall N Houk; Hui Jiang; Xuntian Jiang; Ximin Li; Peng Liu; Eric W Uffman; Vladimir B Birman
Catalytic, enantioselective N-acylation of lactams and thiolactams using amidine-based catalysts.
Journal of the American Chemical Society 2012;134(42):17605-12.
2012: Andrej Petric; Hung V Pham; Nagichettiar Satyamurthy; Gerald Timbol; Eric D Agdeppa; Simon Ceh; Amalija Golobic; Kendall N Houk; Scott A Johnson; Vladimir Kepe; Gyochang Keum; Ying Li; Jie Liu; Jorge R Barrio
Dicyanovinylnaphthalenes for neuroimaging of amyloids and relationships of electronic structures and geometries to binding affinities.
Proceedings of the National Academy of Sciences of the United States of America 2012;109(41):16492-7.
2012: Hao Wang; Philipp Kohler; Larry E Overman; Kendall N Houk
Origins of stereoselectivities of dihydroxylations of cis-bicyclo[3.3.0]octenes.
Journal of the American Chemical Society 2012;134(38):16054-8.
2012: Geoffrey R Nosrati; Kendall N Houk
Using catalytic atom maps to predict the catalytic functions present in enzyme active sites.
Biochemistry 2012;51(37):7321-9.
2012: Martin J Schnermann; Nicholas L Untiedt; Kendall N Houk; Gonzalo Jiménez-Osés; Larry E Overman
Forming tertiary organolithiums and organocuprates from nitrile precursors and their bimolecular reactions with carbon electrophiles to form quaternary carbon stereocenters.
Angewandte Chemie (International ed. in English) 2012;51(38):9581-6.
2012: Xing Yang; Kendall N Houk; Peng Liu; Vladimir B Birman
Manifestation of Felkin-Anh control in enantioselective acyl transfer catalysis: kinetic resolution of carboxylic acids.
Angewandte Chemie (International ed. in English) 2012;51(38):9638-42.
2012: Sarah M Bronner; Kendall N Houk; Joel L Mackey; Neil K Garg
Steric effects compete with aryne distortion to control regioselectivities of nucleophilic additions to 3-silylarynes.
Journal of the American Chemical Society 2012;134(34):13966-9.
2012: Ramesh Giri; Kendall N Houk; Yu Lan; Peng Liu; Jin-Quan Yu
Understanding reactivity and stereoselectivity in palladium-catalyzed diastereoselective sp3 C-H bond activation: intermediate characterization and computational studies.
Journal of the American Chemical Society 2012;134(34):14118-26.
2012: Kersey Black; Charles Doubleday; Peng Liu; Lai Xu; Kendall N Houk
Dynamics, transition states, and timing of bond formation in Diels-Alder reactions.
Proceedings of the National Academy of Sciences of the United States of America 2012;109(32):12860-5.
2012: Ana Bellomo; Xiaodong Bu; Nihan Celebi-Olcum; Kendall N Houk; Nelo Rivera; Rebecca T Ruck; Christopher J Welch; Spencer D Dreher
Rapid catalyst identification for the synthesis of the pyrimidinone core of HIV integrase inhibitors.
Angewandte Chemie (International ed. in English) 2012;51(28):6912-5.
2012: Peng Liu; Xing Yang; Vladimir B Birman; Kendall N Houk
Origin of enantioselectivity in benzotetramisole-catalyzed dynamic kinetic resolution of azlactones.
Organic letters 2012;14(13):3288-91.
2012: Olga Khersonsky; Gert Kiss; Daniela Röthlisberger; Shira Albeck; David Baker; Orly Dym; Kendall N Houk; Dan S Tawfik
Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proceedings of the National Academy of Sciences of the United States of America 2012;109(26):10358-63.
2012: Elizabeth H Krenske; Thomas J Maimone; Emma W Perry; Phil S Baran; Steven V Jerome; Kendall N Houk
Why a proximity-induced Diels-Alder reaction is so fast.
Organic letters 2012;14(12):3016-9.
2012: Chelsea G Gordon; Kendall N Houk; John C Jewett; Joel L Mackey; Ellen M Sletten; Carolyn R Bertozzi
Reactivity of biarylazacyclooctynones in copper-free click chemistry.
Journal of the American Chemical Society 2012;134(22):9199-208.
2012: Elizabeth A Felnagle; Kendall N Houk; Asha Chaubey; Elizabeth L Noey; James C Liao
Engineering synthetic recursive pathways to generate non-natural small molecules.
Nature chemical biology 2012;8(6):518-26.
2012: C Avery Sader; Kendall N Houk
A theoretical study of cyclohexyne addition to carbonyl-Cα bonds: allowed and forbidden electrocyclic and nonpericyclic ring-openings of strained cyclobutenes.
The Journal of organic chemistry 2012;77(11):4939-48.
2012: Myles B Herbert; Kendall N Houk; Benjamin K Keitz; Yu Lan; Peng Liu; Michael W Day; Koji Endo; Robert H Grubbs
Decomposition pathways of Z-selective ruthenium metathesis catalysts.
Journal of the American Chemical Society 2012;134(18):7861-6.
2012: Geoffrey R Nosrati; Kendall N Houk
SABER: a computational method for identifying active sites for new reactions.
Protein science : a publication of the Protein Society 2012;21(5):697-706.
2012: Ryan J Marcheschi; Elizabeth L Noey; Kechun Zhang; Asha Chaubey; Kendall N Houk; Seonah Kim; Han Li; James C Liao
A synthetic recursive "+1" pathway for carbon chain elongation.
ACS chemical biology 2012;7(4):689-97.
2012: Yu-hong Lam; Kendall N Houk; Ulf Scheffler; Rainer Mahrwald
Stereoselectivities of histidine-catalyzed asymmetric aldol additions and contrasts with proline catalysis: a quantum mechanical analysis.
Journal of the American Chemical Society 2012;134(14):6286-95.
2012: Kinya Hotta; Kendall N Houk; Xi Chen; Hao Li; Irimpan I Mathews; Atsushi Minami; Hideaki Oikawa; Robert S Paton; Kunchithapadam Swaminathan; Kenji Watanabe; Chu-Young Kim
Enzymatic catalysis of anti-Baldwin ring closure in polyether biosynthesis.
Nature 2012;483(7389):355-8.
2012: Adam E Goetz; Kendall N Houk; Joshua M Melamed; Robert S Paton; Sarah M Bronner; Jordan D Cisneros; Neil K Garg
An efficient computational model to predict the synthetic utility of heterocyclic arynes.
Angewandte Chemie (International ed. in English) 2012;51(11):2758-62.
2012: Heidi K Privett; Leonard M Thomas; Rebecca Blomberg; Roberto A Chica; Donald Hilvert; Kendall N Houk; Gert Kiss; Toni M Lee; Stephen L Mayo
Iterative approach to computational enzyme design.
Proceedings of the National Academy of Sciences of the United States of America 2012;109(10):3790-5.
2012: Omid Khakshoor; Kendall N Houk; Steven E Wheeler; Eric T Kool
Measurement and theory of hydrogen bonding contribution to isosteric DNA base pairs.
Journal of the American Chemical Society 2012;134(6):3154-63.
2012: Pankaj Jain; Hao Wang; Kendall N Houk; Jon C Antilla
Brønsted acid catalyzed asymmetric propargylation of aldehydes.
Angewandte Chemie (International ed. in English) 2012;51(6):1391-4.
2012: Yu Lan; Rick L Danheiser; Kendall N Houk
Why nature eschews the concerted [2 + 2 + 2] cycloaddition of a nonconjugated cyanodiyne. Computational study of a pyridine synthesis involving an ene-Diels-Alder-bimolecular hydrogen-transfer mechanism.
The Journal of organic chemistry 2012;77(3):1533-8.
2012: Andrew R Bogdan; Kendall N Houk; Steven V Jerome; Keith James
Strained cyclophane macrocycles: impact of progressive ring size reduction on synthesis and structure.
Journal of the American Chemical Society 2012;134(4):2127-38.
2012: Peng Liu; Xiufang Xu; Benjamin K Keitz; Xiaofei Dong; Robert H Grubbs; Myles B Herbert; Kendall N Houk
Z-Selectivity in olefin metathesis with chelated Ru catalysts: computational studies of mechanism and selectivity.
Journal of the American Chemical Society 2012;134(3):1464-7.
2012: Elizabeth L Noey; Liming Zhang; Yingdong Luo; Kendall N Houk
Mechanism of gold(I)-catalyzed rearrangements of acetylenic amine-N-oxides: computational investigations lead to a new mechanism confirmed by experiment.
Journal of the American Chemical Society 2012;134(2):1078-84.
2011: Yu Lan; Lufeng Zou; Yang Cao; Kendall N Houk
Computational methods to calculate accurate activation and reaction energies of 1,3-dipolar cycloadditions of 24 1,3-dipoles.
The journal of physical chemistry. A 2011;115(47):13906-20.
2011: Nihan Çelebi-Ölçüm; Yu-hong Lam; Kenneth B Ling; Edward Richmond; Andrew D Smith; Kendall N Houk
Pericyclic cascade with chirality transfer: reaction pathway and origin of enantioselectivity of the hetero-Claisen approach to oxindoles.
Angewandte Chemie (International ed. in English) 2011;50(48):11478-82.
2011: Lai Xu; Charles E Doubleday; Kendall N Houk
Dynamics of carbene cycloadditions.
Journal of the American Chemical Society 2011;133(44):17848-54.
2011: Robert S Paton; Audrey G Ross; Samuel J Danishefsky; Seonah Kim; Kendall N Houk
Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies.
Angewandte Chemie (International ed. in English) 2011;50(44):10366-8.
2011: Jennifer E Antoline; Kendall N Houk; Elizabeth H Krenske; Andrew G Lohse; Richard P Hsung
Stereoselectivities and regioselectivities of (4 + 3) cycloadditions between allenamide-derived chiral oxazolidinone-stabilized oxyallyls and furans: experiment and theory.
Journal of the American Chemical Society 2011;133(36):14443-51.
2011: Joann M Um; Daniel A DiRocco; Elizabeth L Noey; Tomislav Rovis; Kendall N Houk
Quantum mechanical investigation of the effect of catalyst fluorination in the intermolecular asymmetric Stetter reaction.
Journal of the American Chemical Society 2011;133(29):11249-54.
2011: Noga Gilboa; Kendall N Houk; Hao Wang; Ilan Marek
Axial preferences in allylations via the Zimmerman-Traxler transition state.
Chemistry (Weinheim an der Bergstrasse, Germany) 2011;17(29):8000-4.
2011: Hao Wang; Damian A Allen; Kendall N Houk; Michael E Jung
Computational elucidation of the origins of reactivity and selectivity in non-aldol aldol rearrangements of cyclic epoxides.
Organic letters 2011;13(12):3238-41.
2011: Yu Lan; Kendall N Houk
Mechanism of the palladium-catalyzed addition of arylboronic acids to enones: a computational study.
The Journal of organic chemistry 2011;76(12):4905-9.
2011: Peng Liu; John Montgomery; Kendall N Houk
Ligand steric contours to understand the effects of N-heterocyclic carbene ligands on the reversal of regioselectivity in Ni-catalyzed reductive couplings of alkynes and aldehydes.
Journal of the American Chemical Society 2011;133(18):6956-9.
2011: Elizabeth L Noey; Xiang Wang; Kendall N Houk
Selective gold(I)-catalyzed formation of tetracyclic indolines: a single transition structure and bifurcations lead to multiple products.
The Journal of organic chemistry 2011;76(9):3477-83.
2011: Kyle W Quasdorf; Aurora Antoft-Finch; Peng Liu; Amanda L Silberstein; Anna Komaromi; Tom Blackburn; Stephen D Ramgren; Kendall N Houk; Victor Snieckus; Neil K Garg
Suzuki-Miyaura cross-coupling of aryl carbamates and sulfamates: experimental and computational studies.
Journal of the American Chemical Society 2011;133(16):6352-63.
2011: Nihan Çelebi-Ölçüm; Ben W Boal; Alexander D Huters; Neil K Garg; Kendall N Houk
Why do some Fischer indolizations fail?
Journal of the American Chemical Society 2011;133(15):5752-5.
2011: Olga Khersonsky; Daniela Röthlisberger; Andrew M Wollacott; Paul Murphy; Orly Dym; Shira Albeck; Gert Kiss; Kendall N Houk; David Baker; Dan S Tawfik
Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution.
Journal of molecular biology 2011;407(3):391-412.
2011: Peng Liu; Michael J Krische; Kendall N Houk
Mechanism and origins of regio- and enantioselectivities in RhI-catalyzed hydrogenative couplings of 1,3-diynes and activated carbonyl partners: intervention of a cumulene intermediate.
Chemistry (Weinheim an der Bergstrasse, Germany) 2011;17(14):4021-9.
2011: Robert S Paton; Sarah E Steinhardt; Christopher D Vanderwal; Kendall N Houk
Unraveling the mechanism of cascade reactions of zincke aldehydes.
Journal of the American Chemical Society 2011;133(11):3895-905.
2011: Moonhee Kim; J Nathan Hohman; Yang Cao; Kendall N Houk; Hong Ma; Alex K-Y Jen; Paul S Weiss
Creating favorable geometries for directing organic photoreactions in alkanethiolate monolayers.
Science (New York, N.Y.) 2011;331(6022):1312-5.
2011: Gregory Kuzmanich; Fabian Spänig; Chao-Kuan Tsai; Joann M Um; Ryan M Hoekstra; Kendall N Houk; Dirk M Guldi; Miguel A Garcia-Garibay
Oxyallyl exposed: an open-shell singlet with picosecond lifetimes in solution but persistent in crystals of a cyclobutanedione precursor.
Journal of the American Chemical Society 2011;133(8):2342-5.
2011: Dora Toledo Warshaviak; Laura Serbulea; Kendall N Houk; Wayne L Hubbell
Conformational analysis of a nitroxide side chain in an α-helix with density functional theory.
The journal of physical chemistry. B 2011;115(2):397-405.
2010: Yu Lan; Kendall N Houk
Mechanism and stereoselectivity of the stepwise 1,3-dipolar cycloadditions between a thiocarbonyl ylide and electron-deficient dipolarophiles: a computational investigation.
Journal of the American Chemical Society 2010;132(50):17921-7.
2010: G-Yoon J Im; Sarah M Bronner; Adam E Goetz; Robert S Paton; Paul Ha-Yeon Cheong; Kendall N Houk; Neil K Garg
Indolyne experimental and computational studies: synthetic applications and origins of selectivities of nucleophilic additions.
Journal of the American Chemical Society 2010;132(50):17933-44.
2010: Elizabeth H Krenske; Kendall N Houk; Daniel Lim; Sarah E Wengryniuk; Don M Coltart
Origins of stereoselectivity in the α-alkylation of chiral hydrazones.
The Journal of organic chemistry 2010;75(24):8578-84.
2010: Andrew G Lohse; Elizabeth H Krenske; Jennifer E Antoline; Kendall N Houk; Richard P Hsung
Regioselectivities of (4 + 3) cycloadditions between furans and oxazolidinone-substituted oxyallyls.
Organic letters 2010;12(23):5506-9.
2010: Michael E Jung; Ting-Hu Zhang; Rebecca M Lui; Osvaldo Gutierrez; Kendall N Houk
Synthesis of a trans,syn,trans-dodecahydrophenanthrene via a bicyclic transannular Diels-Alder reaction: intermediate for the synthesis of fusidic acid.
The Journal of organic chemistry 2010;75(20):6933-40.
2010: Gert Kiss; Daniela Röthlisberger; David Baker; Kendall N Houk
Evaluation and ranking of enzyme designs.
Protein science : a publication of the Protein Society 2010;19(9):1760-73.
2010: Steven E Wheeler; Kendall N Houk
Are anion/pi interactions actually a case of simple charge-dipole interactions?
The journal of physical chemistry. A 2010;114(33):8658-64.
2010: Peng Liu; Lauren E Sirois; Paul Ha-Yeon Cheong; Zhi-Xiang Yu; Ingo V Hartung; Heiko Rieck; Paul A Wender; Kendall N Houk
Electronic and steric control of regioselectivities in Rh(I)-catalyzed (5 + 2) cycloadditions: experiment and theory.
Journal of the American Chemical Society 2010;132(29):10127-35.
2010: Justin B Siegel; Alexandre Zanghellini; Helena M Lovick; Gert Kiss; Abigail R Lambert; Jennifer L St Clair; Jasmine L Gallaher; Donald Hilvert; Michael H Gelb; Barry L Stoddard; Kendall N Houk; Forrest E Michael; David Baker
Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science (New York, N.Y.) 2010;329(5989):309-13.
2010: Robert S Paton; Joel L Mackey; Woo Han Kim; Jun Hee Lee; Samuel J Danishefsky; Kendall N Houk
Origins of stereoselectivity in the trans Diels-Alder paradigm.
Journal of the American Chemical Society 2010;132(27):9335-40.
2010: Mariam Aghajan; Nao Jonai; Karin Flick; Fei Fu; Manlin Luo; Xiaolu Cai; Ikram Ouni; Nathan Pierce; Xiaobo Tang; Brett Lomenick; Robert Damoiseaux; Rui Hao; Pierre M Del Moral; Rati Verma; Ying Li; Cheng Li; Kendall N Houk; Michael E Jung; Ning Zheng; Lan Huang; Raymond J Deshaies; Peter Kaiser; Jing Huang
Chemical genetics screen for enhancers of rapamycin identifies a specific inhibitor of an SCF family E3 ubiquitin ligase.
Nature biotechnology 2010;28(7):738-42.
2010: Daniel J St-Cyr; Marie S T Morin; Francine Bélanger-Gariépy; Bruce A Arndtsen; Elizabeth H Krenske; Kendall N Houk
Phospha-Münchnones: electronic structures and 1,3-dipolar cycloadditions.
The Journal of organic chemistry 2010;75(12):4261-73.
2010: Joann M Um; Naeem S Kaka; David M Hodgson; Kendall N Houk
Transition states and origins of 1,4-asymmetric induction in alkylations of 2,2,6-trialkylpiperidine enamines.
Chemistry (Weinheim an der Bergstrasse, Germany) 2010;16(21):6310-6.
2010: Gavin O Jones; Peng Liu; Kendall N Houk; Stephen L Buchwald
Computational explorations of mechanisms and ligand-directed selectivities of copper-catalyzed Ullmann-type reactions.
Journal of the American Chemical Society 2010;132(17):6205-13.
2010: Joann M Um; Osvaldo Gutierrez; Franziska Schoenebeck; Kendall N Houk; David W C MacMillan
Nature of intermediates in organo-SOMO catalysis of alpha-arylation of aldehydes.
Journal of the American Chemical Society 2010;132(17):6001-5.
2010: Seref Gül; Franziska Schoenebeck; Viktorya Aviyente; Kendall N Houk
Computational study of factors controlling the boat and chair transition states of Ireland-Claisen rearrangements.
The Journal of organic chemistry 2010;75(6):2115-8.
2010: Steven E Wheeler; Anne J McNeil; Peter Müller; Timothy M Swager; Kendall N Houk
Probing substituent effects in aryl-aryl interactions using stereoselective Diels-Alder cycloadditions.
Journal of the American Chemical Society 2010;132(10):3304-11.
2010: Lai Xu; Charles E Doubleday; Kendall N Houk
Dynamics of 1,3-dipolar cycloadditions: energy partitioning of reactants and quantitation of synchronicity.
Journal of the American Chemical Society 2010;132(9):3029-37.
2010: Franziska Schoenebeck; Kendall N Houk
Ligand-controlled regioselectivity in palladium-catalyzed cross coupling reactions.
Journal of the American Chemical Society 2010;132(8):2496-7.
2010: Peng Liu; Patrick R McCarren; Paul Ha-Yeon Cheong; Timothy F Jamison; Kendall N Houk
Origins of regioselectivity and alkene-directing effects in nickel-catalyzed reductive couplings of alkynes and aldehydes.
Journal of the American Chemical Society 2010;132(6):2050-7.
2010: Elizabeth H Krenske; Kendall N Houk; Michael Harmata
Origin of stereoselectivity in the (4 + 3) cycloadditions of chiral alkoxy siloxyallyl cations with furan.
Organic letters 2010;12(3):444-7.
2010: Roger C Helgeson; Amy E Hayden; Kendall N Houk
Controlled gating of a hemicarcerand by disulfide-dithiol interchange.
The Journal of organic chemistry 2010;75(3):570-5.
2010: Hao Wang; Karol Michalak; Michał Michalak; Gonzalo Jiménez-Osés; J Wicha; Kendall N Houk
Steric control of alpha- and beta-alkylation of azulenone intermediates in a guanacastepene a synthesis.
The Journal of organic chemistry 2010;75(3):762-6.
2010: Amy E Hayden; Robert S Paton; Jochen Becker; Yee Hwee Lim; Kyriacos C Nicolaou; Kendall N Houk
Origins of regioselectivity of Diels-Alder reactions for the synthesis of bisanthraquinone antibiotic BE-43472B.
The Journal of organic chemistry 2010;75(3):922-8.
2010: Jacqueline C Hargis; Henry F Schaefer; Kendall N Houk; Steven E Wheeler
Noncovalent interactions of a benzo[a]pyrene diol epoxide with DNA base pairs: insight into the formation of adducts of (+)-BaP DE-2 with DNA.
The journal of physical chemistry. A 2010;114(4):2038-44.
2010: Paul Ha-Yeon Cheong; Robert S Paton; Sarah M Bronner; G-Yoon J Im; Neil K Garg; Kendall N Houk
Indolyne and aryne distortions and nucleophilic regioselectivites.
Journal of the American Chemical Society 2010;132(4):1267-9.
2009: Sílvia Osuna; Kendall N Houk
Cycloaddition reactions of butadiene and 1,3-dipoles to curved arenes, fullerenes, and nanotubes: theoretical evaluation of the role of distortion energies on activation barriers.
Chemistry (Weinheim an der Bergstrasse, Germany) 2009;15(47):13219-31.
2009: Xin Chen; Colleen K Regan; Stephen L Craig; Elizabeth H Krenske; Kendall N Houk; William L Jorgensen; John I Brauman
Steric and solvation effects in ionic S(N)2 reactions.
Journal of the American Chemical Society 2009;131(44):16162-70.
2009: Osvaldo Gutierrez; Robert G Iafe; Kendall N Houk
Origin of stereoselectivity in the imidazolidinone-catalyzed reductions of cyclic alpha,beta-unsaturated ketones.
Organic letters 2009;11(19):4298-301.
2009: Steven E Wheeler; Antonio Moran; Susan N Pieniazek; Kendall N Houk
Accurate reaction enthalpies and sources of error in DFT thermochemistry for aldol, Mannich, and alpha-aminoxylation reactions.
The journal of physical chemistry. A 2009;113(38):10376-84.
2009: Amy E Hayden; Jason DeChancie; Alexander H George; Mingji Dai; Maolin Yu; Samuel J Danishefsky; Kendall N Houk
Origins of the regioselectivities in the Diels-Alder reactions of vinylindenes with 1,4-quinone monoketal and acrolein dienophiles.
The Journal of organic chemistry 2009;74(17):6770-6.
2009: Elizabeth H Krenske; William A Pryor; Kendall N Houk
Mechanism of S(H)2 reactions of disulfides: frontside vs backside, stepwise vs concerted.
The Journal of organic chemistry 2009;74(15):5356-60.
2009: Adam J T Smith; Ying Li; Kendall N Houk
Quantum mechanics/molecular mechanics investigation of the mechanism of phosphate transfer in human uridine-cytidine kinase 2.
Organic & biomolecular chemistry 2009;7(13):2716-24.
2009: Franziska Schoenebeck; Daniel H Ess; Gavin O Jones; Kendall N Houk
Reactivity and regioselectivity in 1,3-dipolar cycloadditions of azides to strained alkynes and alkenes: a computational study.
Journal of the American Chemical Society 2009;131(23):8121-33.
2009: Joann M Um; Huadong Xu; Kendall N Houk; Weiping Tang
Thermodynamic control of the electrocyclic ring opening of cyclobutenes: C=X substituents at C-3 mask the kinetic torquoselectivity.
Journal of the American Chemical Society 2009;131(19):6664-5.
2009: Patrick R McCarren; Peng Liu; Paul Ha-Yeon Cheong; Timothy F Jamison; Kendall N Houk
Mechanism and transition-state structures for nickel-catalyzed reductive alkyne-aldehyde coupling reactions.
Journal of the American Chemical Society 2009;131(19):6654-5.
2009: Yeimy Garcia; Franziska Schoenebeck; Claude Y Legault; Craig A Merlic; Kendall N Houk
Theoretical bond dissociation energies of halo-heterocycles: trends and relationships to regioselectivity in palladium-catalyzed cross-coupling reactions.
Journal of the American Chemical Society 2009;131(18):6632-9.
2009: Hakan Gunaydin; Kendall N Houk
Mechanisms of peroxynitrite-mediated nitration of tyrosine.
Chemical research in toxicology 2009;22(5):894-8.
2009: Amy E Hayden; Kendall N Houk
Transition state distortion energies correlate with activation energies of 1,4-dihydrogenations and Diels-Alder cycloadditions of aromatic molecules.
Journal of the American Chemical Society 2009;131(11):4084-9.
2009: Steven E Wheeler; Kendall N Houk
Substituent effects in cation/pi interactions and electrostatic potentials above the centers of substituted benzenes are due primarily to through-space effects of the substituents.
Journal of the American Chemical Society 2009;131(9):3126-7.
2009: Steven E Wheeler; Kendall N Houk; Paul v R Schleyer; Wesley D Allen
A hierarchy of homodesmotic reactions for thermochemistry.
Journal of the American Chemical Society 2009;131(7):2547-60.
2009: Franziska Schoenebeck; Kendall N Houk
Theoretical study of the catalysis of cyanohydrin formation by the cyclic dipeptide catalyst cyclo[(S)-His-(S)-Phe].
The Journal of organic chemistry 2009;74(4):1464-72.
2009: Yu-hong Lam; Paul Ha-Yeon Cheong; José M Blasco Mata; Steven J Stanway; Véronique Gouverneur; Kendall N Houk
Diels-Alder exo selectivity in terminal-substituted dienes and dienophiles: experimental discoveries and computational explanations.
Journal of the American Chemical Society 2009;131(5):1947-57.
2009: David M Hodgson; Christopher D Bray; Nicholas D Kindon; Nigel J Reynolds; Steven J Coote; Joann M Um; Kendall N Houk
Synthesis and C-alkylation of hindered aldehyde enamines.
The Journal of organic chemistry 2009;74(3):1019-28.
2009: Adam J T Smith; Xiyun Zhang; Andrew G Leach; Kendall N Houk
Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins.
Journal of medicinal chemistry 2009;52(2):225-33.
2009: Andrea Penoni; Giovanni Palmisano; Yi-Lei Zhao; Kendall N Houk; Jerome Volkman; Kenneth M Nicholas
On the mechanism of nitrosoarene-alkyne cycloaddition.
Journal of the American Chemical Society 2009;131(2):653-61.
2009: Lai Xu; Charles E Doubleday; Kendall N Houk
Dynamics of 1,3-dipolar cycloaddition reactions of diazonium betaines to acetylene and ethylene: bending vibrations facilitate reaction.
Angewandte Chemie (International ed. in English) 2009;48(15):2746-8.
2008: Jennifer A R Luft; Tammo Winkler; Fiona M Kessabi; Kendall N Houk
Substituent effects on the rearrangements of cyclohexyl to cyclopentyl radicals involving avermectin-related radicals.
The Journal of organic chemistry 2008;73(21):8175-81.
2008: Félix Calderón; Elisa G Doyagüez; Paul Ha-Yeon Cheong; Alfonso Fernández-Mayoralas; Kendall N Houk
Origins of the double asymmetric induction on proline-catalyzed aldol reactions.
The Journal of organic chemistry 2008;73(20):7916-20.
2008: Nihan Celebi-Olçüm; Daniel H Ess; Viktorya Aviyente; Kendall N Houk
Effect of Lewis acid catalysts on Diels-Alder and hetero-Diels-Alder cycloadditions sharing a common transition state.
The Journal of organic chemistry 2008;73(19):7472-80.
2008: Daniel H Ess; Amy E Hayden; Frank-Gerrit Klärner; Kendall N Houk
Transition states for the dimerization of 1,3-cyclohexadiene: a DFT, CASPT2, and CBS-QB3 quantum mechanical investigation.
The Journal of organic chemistry 2008;73(19):7586-92.
2008: Kendall N Houk; Paul Ha-Yeon Cheong
Computational prediction of small-molecule catalysts.
Nature 2008;455(7211):309-13.
2008: Gavin O Jones; Xuechen Li; Amy E Hayden; Kendall N Houk; Samuel J Danishefsky
The coupling of isonitriles and carboxylic acids occurring by sequential concerted rearrangement mechanisms.
Organic letters 2008;10(18):4093-6.
2008: Steven E Wheeler; Kendall N Houk
Substituent effects in the benzene dimer are due to direct interactions of the substituents with the unsubstituted benzene.
Journal of the American Chemical Society 2008;130(33):10854-5.
2008: Hakan Gunaydin; Sergey V Barabash; Kendall N Houk; V Ozoliņs
First-principles theory of hydrogen diffusion in aluminum.
Physical review letters 2008;101(7):075901.
2008: Elizabeth H Krenske; Kendall N Houk; Bruce A Arndtsen; Daniel J St Cyr
Cyclic 1,3-dipoles or acyclic phosphonium ylides? Electronic characterization of "Montréalones".
Journal of the American Chemical Society 2008;130(31):10052-3.
2008: Hakan Gunaydin; Kendall N Houk
Molecular dynamics simulation of the HOONO decomposition and the HO*/NO2* caged radical pair in water.
Journal of the American Chemical Society 2008;130(31):10036-7.
2008: Daniel H Ess; Kendall N Houk
Theory of 1,3-dipolar cycloadditions: distortion/interaction and frontier molecular orbital models.
Journal of the American Chemical Society 2008;130(31):10187-98.
2008: Christopher D Anderson; Travis Dudding; Ruth Gordillo; Kendall N Houk
Origin of enantioselection in Hetero-Diels-Alder reactions catalyzed by naphthyl-TADDOL.
Organic letters 2008;10(13):2749-52.
2008: Fiona Murphy Kessabi; Tammo Winkler; Jennifer A R Luft; Kendall N Houk
Rearrangement of a cyclohexyl radical to a cyclopentylmethyl radical on the avermectin skeleton.
Organic letters 2008;10(11):2255-8.
2008: Daniela Röthlisberger; Olga Khersonsky; Andrew M Wollacott; Lin Jiang; Jason DeChancie; Jamie Betker; Jasmine L Gallaher; Eric A Althoff; Alexandre Zanghellini; Orly Dym; Shira Albeck; Kendall N Houk; Dan S Tawfik; David Baker
Kemp elimination catalysts by computational enzyme design.
Nature 2008;453(7192):190-5.
2008: Daniel H Ess; Gavin O Jones; Kendall N Houk
Transition states of strain-promoted metal-free click chemistry: 1,3-dipolar cycloadditions of phenyl azide and cyclooctynes.
Organic letters 2008;10(8):1633-6.
2008: Robert G Iafe; Kendall N Houk
Intramolecular hetero-Diels-Alder reactions of imine and iminium dienophiles: quantum mechanical exploration of mechanisms and stereoselectivities.
The Journal of organic chemistry 2008;73(7):2679-86.
2008: Kendall N Houk; Arash Jabbari; H K Hall; Carlos Aleman
Why delta-valerolactone polymerizes and gamma-butyrolactone does not.
The Journal of organic chemistry 2008;73(7):2674-8.
2008: Paul Ha-Yeon Cheong; Philip Morganelli; Michael R Luzung; Kendall N Houk; F Dean Toste
Gold-catalyzed cycloisomerization of 1,5-allenynes via dual activation of an ene reaction.
Journal of the American Chemical Society 2008;130(13):4517-26.
2008: Hakan Gunaydin; Kendall N Houk; Vidvuds Ozolins
Vacancy-mediated dehydrogenation of sodium alanate.
Proceedings of the National Academy of Sciences of the United States of America 2008;105(10):3673-7.
2008: Lin Jiang; Eric A Althoff; Fernando R Clemente; Lindsey Doyle; Daniela Röthlisberger; Alexandre Zanghellini; Jasmine L Gallaher; Jamie L Betker; Fujie Tanaka; Carlos F Barbas; Donald Hilvert; Kendall N Houk; Barry L Stoddard; David Baker
De novo computational design of retro-aldol enzymes.
Science (New York, N.Y.) 2008;319(5868):1387-91.
2008: Steven E Wheeler; Daniel H Ess; Kendall N Houk
Thinking out of the black box: accurate barrier heights of 1,3-dipolar cycloadditions of ozone with acetylene and ethylene.
The journal of physical chemistry. A 2008;112(8):1798-807.
2008: Zhi-Xiang Yu; Paul Ha-Yeon Cheong; Peng Liu; Claude Y Legault; Paul A Wender; Kendall N Houk
Origins of differences in reactivities of alkenes, alkynes, and allenes in [Rh(CO)2Cl]2-catalyzed (5 + 2) cycloaddition reactions with vinylcyclopropanes.
Journal of the American Chemical Society 2008;130(8):2378-9.
2008: Gavin O Jones; Kendall N Houk
Predictions of substituent effects in thermal azide 1,3-dipolar cycloadditions: implications for dynamic combinatorial (reversible) and click (irreversible) chemistry.
The Journal of organic chemistry 2008;73(4):1333-42.
2008: Xiyun Zhang; Jason DeChancie; Hakan Gunaydin; Arnab B Chowdry; Fernando R Clemente; Adam J T Smith; Tracy M Handel; Kendall N Houk
Quantum mechanical design of enzyme active sites.
The Journal of organic chemistry 2008;73(3):889-99.
2008: Haile Zhang; Susumu Mitsumori; Naoto Utsumi; Masanori Imai; Noemi Garcia-Delgado; Maria Mifsud; Klaus Albertshofer; Paul Ha-Yeon Cheong; Kendall N Houk; Fujie Tanaka; Carlos F Barbas
Catalysis of 3-pyrrolidinecarboxylic acid and related pyrrolidine derivatives in enantioselective anti-Mannich-type reactions: importance of the 3-acid group on pyrrolidine for stereocontrol.
Journal of the American Chemical Society 2008;130(3):875-86.
2008: Daniel H Ess; Steven E Wheeler; Robert G Iafe; Lai Xu; Nihan Celebi-Olçüm; Kendall N Houk
Bifurcations on potential energy surfaces of organic reactions.
Angewandte Chemie (International ed. in English) 2008;47(40):7592-601.
2008: Susan N Pieniazek; Fernando R Clemente; Kendall N Houk
Sources of error in DFT computations of C-C bond formation thermochemistries: pi-->sigma transformations and error cancellation by DFT methods.
Angewandte Chemie (International ed. in English) 2008;47(40):7746-9.
2008: Lee M Bishop; Michael Winkler; Kendall N Houk; Robert G Bergman; Dirk Trauner
Mechanistic investigations of the acid-catalyzed cyclization of a vinyl ortho-quinone methide.
Chemistry (Weinheim an der Bergstrasse, Germany) 2008;14(18):5405-8.
2008: Philip J Pye; Yong-Li Zhong; Gavin O Jones; Robert A Reamer; Kendall N Houk; David Askin
A polar radical pair pathway to assemble the pyrimidinone core of the HIV integrase inhibitor raltegravir potassium.
Angewandte Chemie (International ed. in English) 2008;47(22):4134-6.
2008: Peng Liu; Paul Ha-Yeon Cheong; Zhi-Xiang Yu; Paul A Wender; Kendall N Houk
Substituent effects, reactant preorganization, and ligand exchange control the reactivity in Rh(I)-catalyzed (5+2) cycloadditions between vinylcyclopropanes and alkynes.
Angewandte Chemie (International ed. in English) 2008;47(21):3939-41.
2008: Matthew Tredwell; Jennifer A R Luft; Marie Schuler; Kenny Tenza; Kendall N Houk; Véronique Gouverneur
Fluorine-directed diastereoselective iodocyclizations.
Angewandte Chemie (International ed. in English) 2008;47(2):357-60.
2007: Zhongfang Chen; De-en Jiang; Xin Lu; Holger F Bettinger; Sheng Dai; Paul von Ragué Schleyer; Kendall N Houk
Open-shell singlet character of cyclacenes and short zigzag nanotubes.
Organic letters 2007;9(26):5449-52.
2007: Courtney L Stanton; I-Feng W Kuo; Christopher J Mundy; Teodoro Laino; Kendall N Houk
QM/MM metadynamics study of the direct decarboxylation mechanism for orotidine-5'-monophosphate decarboxylase using two different QM regions: acceleration too small to explain rate of enzyme catalysis.
The journal of physical chemistry. B 2007;111(43):12573-81.
2007: Claude Y Legault; Yeimy Garcia; Craig A Merlic; Kendall N Houk
Origin of regioselectivity in palladium-catalyzed cross-coupling reactions of polyhalogenated heterocycles.
Journal of the American Chemical Society 2007;129(42):12664-5.
2007: Daniel H Ess; Kendall N Houk
Distortion/interaction energy control of 1,3-dipolar cycloaddition reactivity.
Journal of the American Chemical Society 2007;129(35):10646-7.
2007: Jason DeChancie; Fernando R Clemente; Adam J T Smith; Hakan Gunaydin; Yi-Lei Zhao; Xiyun Zhang; Kendall N Houk
How similar are enzyme active site geometries derived from quantum mechanical theozymes to crystal structures of enzyme-inhibitor complexes? Implications for enzyme design.
Protein science : a publication of the Protein Society 2007;16(9):1851-66.
2007: Sun-Joon Min; Gavin O Jones; Kendall N Houk; Samuel J Danishefsky
Creating quaternary centers with high exo stereoselectivity using activated alpha-alkynyl dienophiles.
Journal of the American Chemical Society 2007;129(33):10078-9.
2007: Arunkumar Natarajan; C K Tsai; Saeed I Khan; Patrick R McCarren; Kendall N Houk; Miguel A Garcia-Garibay
The photoarrangement of alpha-santonin is a single-crystal-to-single-crystal reaction: a long kept secret in solid-state organic chemistry revealed.
Journal of the American Chemical Society 2007;129(32):9846-7.
2007: Emel Adaligil; Barry D Davis; David G Hilmey; Young Shen; Jason M Spruell; Jennifer S Brodbelt; Kendall N Houk; Leo A Paquette
Synthesis of, and structural assignments to the stereoisomers of bis (2,2')- and tris (2,2',2")-tetrahydrofurans: conformational features and ionic binding capacities of these gateway polycyclic networks.
The Journal of organic chemistry 2007;72(16):6215-23.
2007: Shuangyi Wan; Hakan Gunaydin; Kendall N Houk; Paul E Floreancig
An experimental and computational approach to defining structure/reactivity relationships for intramolecular addition reactions to bicyclic epoxonium ions.
Journal of the American Chemical Society 2007;129(25):7915-23.
2007: Dominique Leca; Francesca Gaggini; Jérôme Cassayre; Olivier Loiseleur; Susan N Pieniazek; Jennifer A R Luft; Kendall N Houk
Acid-catalyzed aza-Diels-Alder reactions for the total synthesis of (+/-)-lapatin B.
The Journal of organic chemistry 2007;72(11):4284-7.
2007: Brian H Northrop; Joseph E Norton; Kendall N Houk
On the mechanism of peripentacene formation from pentacene: computational studies of a prototype for graphene formation from smaller acenes.
Journal of the American Chemical Society 2007;129(20):6536-46.
2007: Jason DeChancie; Kendall N Houk
The origins of femtomolar protein-ligand binding: hydrogen-bond cooperativity and desolvation energetics in the biotin-(strept)avidin binding site.
Journal of the American Chemical Society 2007;129(17):5419-29.
2007: Robert A Moss; Jingzhi Tian; Ronald R Sauers; Daniel H Ess; Kendall N Houk; Karsten Krogh-Jespersen
The synthesis of dichlorodiazirine and the generation of dichlorocarbene: spectroscopy and structure of dichlorocarbene ylides.
Journal of the American Chemical Society 2007;129(16):5167-74.
2007: Nihan Celebi-Olçüm; Daniel H Ess; Viktorya Aviyente; Kendall N Houk
Lewis acid catalysis alters the shapes and products of bis-pericyclic Diels-Alder transition states.
Journal of the American Chemical Society 2007;129(15):4528-9.
2007: Peter Jarowski; Kendall N Houk; Miguel A Garcia-Garibay
Importance of correlated motions on the low barrier rotational potentials of crystalline molecular gyroscopes.
Journal of the American Chemical Society 2007;129(11):3110-7.
2007: Jennifer A R Luft; Kieche Meleson; Kendall N Houk
Transition structures of diastereoselective 1,3-dipolar cycloadditions of nitrile oxides to chiral homoallylic alcohols.
Organic letters 2007;9(4):555-8.
2007: Ruth Gordillo; Travis Dudding; Christopher D Anderson; Kendall N Houk
Hydrogen bonding catalysis operates by charge stabilization in highly polar Diels-Alder reactions.
Organic letters 2007;9(3):501-3.
2007: Mingji Dai; David Sarlah; Maolin Yu; Samuel J Danishefsky; Gavin O Jones; Kendall N Houk
Highly selective Diels-Alder reactions of directly connected enyne dienophiles.
Journal of the American Chemical Society 2007;129(3):645-57.
2007: Chaitanya S Wannere; Ankan Paul; Rainer Herges; Kendall N Houk; Henry F Schaefer; Paul von Ragué Schleyer
The existence of secondary orbital interactions.
Journal of computational chemistry 2007;28(1):344-61.
2007: Matthew Wodrich; Chaitanya S Wannere; Yirong Mo; Peter Jarowski; Kendall N Houk; Paul von Ragué Schleyer
The concept of protobranching and its many paradigm shifting implications for energy evaluations.
Chemistry (Weinheim an der Bergstrasse, Germany) 2007;13(27):7731-44.
2006: Arash Jabbari; Kendall N Houk
Hetero-cope rearrangements of nitrosobutenes. DFT studies of thermal and acid-catalyzed reactions.
Organic letters 2006;8(26):5975-8.
2006: Joseph E Norton; Brian H Northrop; Colin Nuckolls; Kendall N Houk
Why 6-methylpentacene deconjugates but avoids the thermally allowed unimolecular mechanism.
Organic letters 2006;8(21):4915-8.
2006: Shih-Ching Chuang; Fernando R Clemente; Saeed I Khan; Kendall N Houk; Yves Rubin
Approaches to open fullerenes: a 1,2,3,4,5,6-hexaadduct of C60.
Organic letters 2006;8(20):4525-8.
2006: William A Pryor; Kendall N Houk; Christopher S Foote; Jon M Fukuto; Louis J Ignarro; Giuseppe Squadrito; Kelvin J A Davies
Free radical biology and medicine: it's a gas, man!
American journal of physiology. Regulatory, integrative and comparative physiology 2006;291(3):R491-511.
2006: Yi-Lei Zhao; Christopher P Suhrada; Michael E Jung; Kendall N Houk
Theoretical investigation of the stereoselective stepwise cope rearrangement of a 3-vinylmethylenecyclobutane.
Journal of the American Chemical Society 2006;128(34):11106-13.
2006: Suzanne E Paulson; De-Ling Liu; Grazyna E Orzechowska; Luis M Campos; Kendall N Houk
Photolysis of heptanal.
The Journal of organic chemistry 2006;71(17):6403-8.
2006: Joseph E Norton; Alejandro L Briseno; Fred Wudl; Kendall N Houk
Lone-pair orbital interactions in polythiaadamantanes.
The journal of physical chemistry. A 2006;110(32):9887-99.
2006: Robert G Iafe; Kendall N Houk
Stereoselectivity control by torsional steering in an intramolecular Diels-Alder reaction of vinyl oxocarbenium ions.
Organic letters 2006;8(16):3469-72.
2006: Michelle Lee; Peter Lloyd; Xiyun Zhang; Julie M Schallhorn; Keiki Sugimoto; Andrew G Leach; Guillermo Sapiro; Kendall N Houk
Shapes of antibody binding sites: qualitative and quantitative analyses based on a geomorphic classification scheme.
The Journal of organic chemistry 2006;71(14):5082-92.
2006: Arash Jabbari; Erik J Sorensen; Kendall N Houk
Transition states of the retro-ene reactions of allylic diazenes.
Organic letters 2006;8(14):3105-7.
2006: Amy E Hayden; Hao Xu; K C Nicolaou; Kendall N Houk
Origins of selectivity in pericyclic reaction cascades for the synthesis of gambogin and lateriflorone.
Organic letters 2006;8(14):2989-92.
2006: Joseph E Norton; Leif P Olson; Kendall N Houk
Theoretical studies of quantum amplified isomerizations for imaging systems involving hexamethyl Dewar benzene and related systems.
Journal of the American Chemical Society 2006;128(24):7835-45.
2006: Brian H Northrop; Daniel P O'Malley; Alexandros L Zografos; Phil S Baran; Kendall N Houk
Mechanism of the vinylcyclobutane rearrangement of sceptrin to ageliferin and nagelamide E.
Angewandte Chemie (International ed. in English) 2006;45(25):4126-30.
2006: Peter Jarowski; François Diederich; Kendall N Houk
Butatrienes as extended alkenes: barriers to internal rotation and substitution effects on the stabilities of the ground states and transition states.
The journal of physical chemistry. A 2006;110(22):7237-46.
2006: Branden Brough; Brian H Northrop; Jacob J Schmidt; Hsian-Rong Tseng; Kendall N Houk; J Fraser Stoddart; Chih-Ming Ho
Evaluation of synthetic linear motor-molecule actuation energetics.
Proceedings of the National Academy of Sciences of the United States of America 2006;103(23):8583-8.
2006: Paul Ha-Yeon Cheong; Heedong Yun; Samuel J Danishefsky; Kendall N Houk
Torsional steering controls the stereoselectivity of epoxidation in the guanacastepene a synthesis.
Organic letters 2006;8(8):1513-6.
2006: Ruth Gordillo; Kendall N Houk
Origins of stereoselectivity in Diels-Alder cycloadditions catalyzed by chiral imidazolidinones.
Journal of the American Chemical Society 2006;128(11):3543-53.
2006: Andrew S Dutton; Christopher P Suhrada; Katrina M Miranda; David A Wink; Jon M Fukuto; Kendall N Houk
Mechanism of pH-dependent decomposition of monoalkylamine diazeniumdiolates to form HNO and NO, deduced from the model compound methylamine diazeniumdiolate, density functional theory, and CBS-QB3 calculations.
Inorganic chemistry 2006;45(6):2448-56.
2006: Paul Ha-Yeon Cheong; Haile Zhang; Rajee Thayumanavan; Fujie Tanaka; Kendall N Houk; Carlos F Barbas
Pipecolic acid-catalyzed direct asymmetric mannich reactions.
Organic letters 2006;8(5):811-4.
2006: Susan N Pieniazek; Kendall N Houk
The origin of the halogen effect on reactivity and reversibility of Diels-Alder cycloadditions involving furan.
Angewandte Chemie (International ed. in English) 2006;45(9):1442-5.
2006: Yi-Lei Zhao; Kendall N Houk
Thionitroxides, RSNHO*: the structure of the SNO moiety in "S-Nitrosohemoglobin", a possible NO reservoir and transporter.
Journal of the American Chemical Society 2006;128(5):1422-3.
2006: Gavin O Jones; Vildan A Guner; Kendall N Houk
Diels-Alder reactions of cyclopentadiene and 9,10-dimethylanthracene with cyanoalkenes: the performance of density functional theory and Hartree-Fock calculations for the prediction of substituent effects.
The journal of physical chemistry. A 2006;110(4):1216-24.
2006: Susumu Mitsumori; Haile Zhang; Paul Ha-Yeon Cheong; Kendall N Houk; Fujie Tanaka; Carlos F Barbas
Direct asymmetric anti-Mannich-type reactions catalyzed by a designed amino acid.
Journal of the American Chemical Society 2006;128(4):1040-1.
2006: Charles Doubleday; Christopher P Suhrada; Kendall N Houk
Dynamics of the degenerate rearrangement of bicyclo[3.1.0]hex-2-ene.
Journal of the American Chemical Society 2006;128(1):90-4.
2006: Brian H Northrop; Kendall N Houk
Vinylcyclobutane-cyclohexene rearrangement: theoretical exploration of mechanism and relationship to the Diels-Alder potential surface.
The Journal of organic chemistry 2006;71(1):3-13.
2005: Katrina M Miranda; Tatsuo Katori; Claudia L Torres de Holding; Lynta Thomas; Lisa A Ridnour; William J McLendon; Stephanie M Cologna; Andrew S Dutton; Hunter C Champion; Daniele Mancardi; Carlo G Tocchetti; Joseph E Saavedra; Larry K Keefer; Kendall N Houk; Jon M Fukuto; David A Kass; Nazareno Paolocci; David A Wink
Comparison of the NO and HNO donating properties of diazeniumdiolates: primary amine adducts release HNO in Vivo.
Journal of medicinal chemistry 2005;48(26):8220-8.
2005: Xiyun Zhang; Kendall N Houk
Acid/base catalysis by pure water: the aldol reaction.
The Journal of organic chemistry 2005;70(24):9712-6.
2005: Yi Liu; Scott A Vignon; Xiyun Zhang; Paul A Bonvallet; Saeed I Khan; Kendall N Houk; J Fraser Stoddart
Dynamic chirality in donor-acceptor pretzelanes.
The Journal of organic chemistry 2005;70(23):9334-44.
2005: Daniel H Ess; Kendall N Houk
Activation energies of pericyclic reactions: performance of DFT, MP2, and CBS-QB3 methods for the prediction of activation barriers and reaction energetics of 1,3-dipolar cycloadditions, and revised activation enthalpies for a standard set of hydrocarbon pericyclic reactions.
The journal of physical chemistry. A 2005;109(42):9542-53.
2005: Yi Liu; Scott A Vignon; Xiyun Zhang; Kendall N Houk; J Fraser Stoddart
Conformational diastereoisomerism in a chiral pretzelane.
Chemical communications (Cambridge, England) 2005;(31):3927-9.
2005: Fernando R Clemente; Kendall N Houk
Theoretical studies of stereoselectivities of intramolecular aldol cyclizations catalyzed by amino acids.
Journal of the American Chemical Society 2005;127(32):11294-302.
2005: Yi-Lei Zhao; Patrick R McCarren; Kendall N Houk; Bo Yoon Choi; Eric J Toone
Nitrosonium-catalyzed decomposition of s-nitrosothiols in solution: a theoretical and experimental study.
Journal of the American Chemical Society 2005;127(31):10917-24.
2005: Liam C Palmer; Yi-Lei Zhao; Kendall N Houk; dada da
Diastereoselection of chiral acids in a cylindrical capsule.
Chemical communications (Cambridge, England) 2005;(29):3667-9.
2005: Luis M Campos; Manoj V Warrier; Krisztina Peterfy; Kendall N Houk; Miguel A Garcia-Garibay
Secondary alpha isotope effects on deuterium tunneling in triplet o-methylanthrones: extraordinary sensitivity to barrier width.
Journal of the American Chemical Society 2005;127(29):10178-9.
2005: Yi-Lei Zhao; Michael D Bartberger; Kei Goto; Keiichi Shimada; Takayuki Kawashima; Kendall N Houk
Theoretical evidence for enhanced NO dimerization in aromatic hosts: implications for the role of the electrophile (NO)(2) in nitric oxide chemistry.
Journal of the American Chemical Society 2005;127(22):7964-5.
2005: Christopher P Suhrada; Cenk Selçuki; Maja Nendel; Carina Cannizzaro; Kendall N Houk; Peter-Jürgen Rissing; Dirk Baumann; Dieter Hasselmann
Dynamic effects on [3,3] and [1,3] shifts of 6-methylenebicyclo[3.2.0]hept-2-ene.
Angewandte Chemie (International ed. in English) 2005;44(23):3548-52.
2005: Andrew S Dutton; Jon M Fukuto; Kendall N Houk
Theoretical reduction potentials for nitrogen oxides from CBS-QB3 energetics and (C)PCM solvation calculations.
Inorganic chemistry 2005;44(11):4024-8.
2005: Xiyun Zhang; Kendall N Houk
Why enzymes are proficient catalysts: beyond the Pauling paradigm.
Accounts of chemical research 2005;38(5):379-85.
2005: Jon M Fukuto; Michael D Bartberger; Andrew S Dutton; Nazareno Paolocci; David A Wink; Kendall N Houk
The physiological chemistry and biological activity of nitroxyl (HNO): the neglected, misunderstood, and enigmatic nitrogen oxide.
Chemical research in toxicology 2005;18(5):790-801.
2005: Pierluigi Caramella; Paolo Quadrelli; Lucio Toma; Silvano Romano; Kelli S Khuong; Brian Northrop; Kendall N Houk
The three corrugated surfaces of 1,4-divinyltetramethylene diradical intermediates and their connections to 1,2-divinylcyclobutane, 4-vinylcyclohexene, 1,5-cyclooctadiene, and two butadienes.
The Journal of organic chemistry 2005;70(8):2994-3008.
2005: Jon M Fukuto; Andrew S Dutton; Kendall N Houk
The chemistry and biology of nitroxyl (HNO): a chemically unique species with novel and important biological activity.
Chembiochem : a European journal of chemical biology 2005;6(4):612-9.
2005: Joseph E Norton; Kendall N Houk
Electronic structures and properties of twisted polyacenes.
Journal of the American Chemical Society 2005;127(12):4162-3.
2005: Kelli S Khuong; Chris M Beaudry; Dirk Trauner; Kendall N Houk
Dienophile twisting and substituent effects influence reaction rates of intramolecular Diels-Alder cycloadditions: a DFT study.
Journal of the American Chemical Society 2005;127(11):3688-9.
2005: Peter Jarowski; François Diederich; Kendall N Houk
Structures and stabilities of diacetylene-expanded polyhedranes by quantum mechanics and molecular mechanics.
The Journal of organic chemistry 2005;70(5):1671-8.
2005: Kelli S Khuong; Walter H Jones; William A Pryor; Kendall N Houk
The mechanism of the self-initiated thermal polymerization of styrene. Theoretical solution of a classic problem.
Journal of the American Chemical Society 2005;127(4):1265-77.
2005: Xiyun Zhang; Kendall N Houk; James L Leighton
Origins of stereoselectivity in strain-release allylations.
Angewandte Chemie (International ed. in English) 2005;44(6):938-41.
2005: Katrina M Miranda; Andrew S Dutton; Lisa A Ridnour; Christian A Foreman; Eleonora Ford; Nazareno Paolocci; Tatsuo Katori; Carlo G Tocchetti; Daniele Mancardi; Douglas D Thomas; Michael G Espey; Kendall N Houk; Jon M Fukuto; David A Wink
Mechanism of aerobic decomposition of Angeli's salt (sodium trioxodinitrate) at physiological pH.
Journal of the American Chemical Society 2005;127(2):722-31.
2005: Andrew S Dutton; Jon M Fukuto; Kendall N Houk
Quantum mechanical determinations of reaction mechanisms, acid base, and redox properties of nitrogen oxides and their donors.
Methods in enzymology 2005;396():26-44.
2004: Michael E Jung; Sun-Joon Min; Kendall N Houk; Daniel Ess
Synthesis and relative stability of 3,5-diacyl-4,5-dihydro-1H-pyrazoles prepared by dipolar cycloaddition of enones and alpha-diazoketones.
The Journal of organic chemistry 2004;69(26):9085-9.
2004: Peter Jarowski; Matthew Wodrich; Chaitanya S Wannere; Paul von Ragué Schleyer; Kendall N Houk
How large is the conjugative stabilization of diynes?
Journal of the American Chemical Society 2004;126(46):15036-7.
2004: Tinh-Alfredo V Khuong; Gerardo Zepeda; Carlos N Sanrame; Hung Dang; Michael D Bartberger; Kendall N Houk; Miguel A Garcia-Garibay
Crankshaft motion in a highly congested bis(triarylmethyl)peroxide.
Journal of the American Chemical Society 2004;126(45):14778-86.
2004: Vildan A Guner; Kendall N Houk; Ian W Davies
Computational studies on the electrocyclizations of 1-amino-1,3,5-hexatrienes.
The Journal of organic chemistry 2004;69(23):8024-8.
2004: Zeve R Akerling; Joseph E Norton; Kendall N Houk
DFT study of pericyclic reaction cascades in the synthesis of antibiotic TAN-1085.
Organic letters 2004;6(23):4273-5.
2004: Fernando R Clemente; Kendall N Houk
Computational evidence for the enamine mechanism of intramolecular aldol reactions catalyzed by proline.
Angewandte Chemie (International ed. in English) 2004;43(43):5765-8.
2004: Paul Ha-Yeon Cheong; Kendall N Houk
Origins of selectivities in proline-catalyzed alpha-aminoxylations.
Journal of the American Chemical Society 2004;126(43):13912-3.
2004: Avril R Williams; Brian H Northrop; Kendall N Houk; J Fraser Stoddart; David J Williams
The influence of constitutional isomerism and change on molecular recognition processes.
Chemistry (Weinheim an der Bergstrasse, Germany) 2004;10(21):5406-21.
2004: Yi-Lei Zhao; Kendall N Houk; Dalit Rechavi; Alessandro Scarso; dada da
Equilibrium isotope effects as a probe of nonbonding attractions.
Journal of the American Chemical Society 2004;126(37):11428-9.
2004: Carina E Cannizzaro; Kendall N Houk
Theoretical study of the stereoselective additions of chiral alcohols to ketenes.
Journal of the American Chemical Society 2004;126(35):10992-1008.
2004: Kersey A Black; Andrew G Leach; M Yashar S Kalani; Kendall N Houk
Antibody-catalyzed oxy-cope rearrangement: mechanism and origins of catalysis and stereoselectivity from DFT quantum mechanics and flexible docking.
Journal of the American Chemical Society 2004;126(31):9695-708.
2004: Zhi-Xiang Yu; Paul A Wender; Kendall N Houk
On the mechanism of [Rh(CO)2Cl]2-catalyzed intermolecular (5 + 2) reactions between vinylcyclopropanes and alkynes.
Journal of the American Chemical Society 2004;126(30):9154-5.
2004: Christophe Allemann; Ruth Gordillo; Fernando R Clemente; Paul Ha-Yeon Cheong; Kendall N Houk
Theory of asymmetric organocatalysis of Aldol and related reactions: rationalizations and predictions.
Accounts of chemical research 2004;37(8):558-69.
2004: Grigoriy Vayner; Kendall N Houk; William L Jorgensen; John I Brauman
Steric retardation of SN2 reactions in the gas phase and solution.
Journal of the American Chemical Society 2004;126(29):9054-8.
2004: Yunfeng Hu; Kendall N Houk; Kazuya Kikuchi; Kinya Hotta; Donald Hilvert
Nonspecific medium effects versus specific group positioning in the antibody and albumin catalysis of the base-promoted ring-opening reactions of benzisoxazoles.
Journal of the American Chemical Society 2004;126(26):8197-205.
2004: Michael Bendikov; Hieu M Duong; Kyle Starkey; Kendall N Houk; Emily A Carter; Fred Wudl
Oligoacenes: theoretical prediction of open-shell singlet diradical ground states.
Journal of the American Chemical Society 2004;126(24):7416-7.
2004: Audrey Auffrant; Bernhard Jaun; Peter Jarowski; Kendall N Houk; François Diederich
Peralkynylated buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds in the range of those of peptide C--N bonds.
Chemistry (Weinheim an der Bergstrasse, Germany) 2004;10(12):2906-11.
2004: Travis Dudding; Kendall N Houk
Computational predictions of stereochemistry in asymmetric thiazolium- and triazolium-catalyzed benzoin condensations.
Proceedings of the National Academy of Sciences of the United States of America 2004;101(16):5770-5.
2004: Dean J Tantillo; Roald Hoffmann; Kendall N Houk; Philip M Warner; Eric C Brown; Daven K Henze
Extended barbaralanes: sigmatropic shiftamers or sigma-polyacenes?
Journal of the American Chemical Society 2004;126(13):4256-63.
2004: Andrew S Dutton; Jon M Fukuto; Kendall N Houk
Mechanisms of HNO and NO production from Angeli's salt: density functional and CBS-QB3 theory predictions.
Journal of the American Chemical Society 2004;126(12):3795-800.
2004: Ian W Davies; Vildan A Guner; Kendall N Houk
Theoretical evidence for oxygenated intermediates in the reductive cyclization of nitrobenzenes.
Organic letters 2004;6(5):743-6.
2004: Ian W Davies; Jean-François Marcoux; Jeffrey T Kuethe; Michael D Lankshear; Jeremy D O Taylor; Nancy N Tsou; Peter G Dormer; David L Hughes; Kendall N Houk; Vildan A Guner
Demonstrating the synergy of synthetic, mechanistic, and computational studies in a regioselective aniline synthesis.
The Journal of organic chemistry 2004;69(4):1298-308.
2004: Andrew S Dutton; Jon M Fukuto; Kendall N Houk
The mechanism of NO formation from the decomposition of dialkylamino diazeniumdiolates: density functional theory and CBS-QB3 predictions.
Inorganic chemistry 2004;43(3):1039-45.
2004: Grigoriy Vayner; Kendall N Houk; Y-K Sun
Origins of enantioselectivity in reductions of ketones on cinchona alkaloid modified platinum.
Journal of the American Chemical Society 2004;126(1):199-203.
2003: John Limanto; Kelli S Khuong; Kendall N Houk; Marc L Snapper
Intramolecular cycloadditions of cyclobutadiene with dienes: experimental and computational studies of the competing (2 + 2) and (4 + 2) modes of reaction.
Journal of the American Chemical Society 2003;125(52):16310-21.
2003: Zhi-Xiang Yu; Pierluigi Caramella; Kendall N Houk
Dimerizations of nitrile oxides to furoxans are stepwise via dinitrosoalkene diradicals: a density functional theory study.
Journal of the American Chemical Society 2003;125(50):15420-5.
2003: Diana S Hamilton; Xiyun Zhang; Zhebo Ding; Ina Hubatsch; Bengt Mannervik; Kendall N Houk; Bruce Ganem; Donald J Creighton
Mechanism of the glutathione transferase-catalyzed conversion of antitumor 2-crotonyloxymethyl-2-cycloalkenones to GSH adducts.
Journal of the American Chemical Society 2003;125(49):15049-58.
2003: Kelli S Khuong; Kendall N Houk
One-bond, two-bond, and three-bond mechanisms in thermal deazetizations of 2,3-diazabicyclo[2.2.2]oct-2-enes, trans-azomethane, and 2,3-diazabicyclo[2.2.1]hept-2-ene.
Journal of the American Chemical Society 2003;125(48):14867-83.
2003: Michael Prakesch; Danielle Grée; René Grée; Jennifer Carter; Ilyas Washington; Kendall N Houk
Stereoselectivity of nitrile oxide cycloadditions to chiral allylic fluorides: experiment and theory.
Chemistry (Weinheim an der Bergstrasse, Germany) 2003;9(22):5664-72.
2003: Zhi-Xiang Yu; Kendall N Houk
Intramolecular 1,3-dipolar ene reactions of nitrile oxides occur by stepwise 1,1-cycloaddition/retro-ene mechanisms.
Journal of the American Chemical Society 2003;125(45):13825-30.
2003: Kendall N Houk; Andrew G Leach; Susanna P Kim; Xiyun Zhang
Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes.
Angewandte Chemie (International ed. in English) 2003;42(40):4872-97.
2003: Michael E Jung; Alexandra van den Heuvel; Andrew G Leach; Kendall N Houk
Unexpected syn hydride migration in the non-aldol aldol reaction.
Organic letters 2003;5(19):3375-8.
2003: Jennifer Y Cho; Andrew S Dutton; Tom Miller; Kendall N Houk; Jon M Fukuto
Oxidation of N-hydroxyguanidines by copper(II): model systems for elucidating the physiological chemistry of the nitric oxide biosynthetic intermediate N-hydroxyl-L-arginine.
Archives of biochemistry and biophysics 2003;417(1):65-76.
2003: Ilyas Washington; Kendall N Houk; Alan Armstrong
Strategies for the design of organic aziridination reagents and catalysts: transition structures for alkene aziridinations by NH transfer.
The Journal of organic chemistry 2003;68(17):6497-501.
2003: Andrew G Leach; E Goldstein; Kendall N Houk
A cornucopia of cycloadducts: theoretical predictions of the mechanisms and products of the reactions of cyclopentadiene with cycloheptatriene.
Journal of the American Chemical Society 2003;125(27):8330-9.
2003: Emanuel Vogel; Martin Michels; Lars Zander; Johann Lex; Nurcan S Tuzun; Kendall N Houk
Spirodiporphyrins--as binuclear metal complexes.
Angewandte Chemie (International ed. in English) 2003;42(25):2857-62.
2003: Kendall N Houk; Bruce N Hietbrink; Michael D Bartberger; Patrick R McCarren; Bo Yoon Choi; Robert D Voyksner; Jonathan S Stamler; Eric J Toone
Nitroxyl disulfides, novel intermediates in transnitrosation reactions.
Journal of the American Chemical Society 2003;125(23):6972-6.
2003: Xueyong Zhu; Andreas Heine; Frédéric Monnat; Kendall N Houk; Kim D Janda; Ian A Wilson
Structural basis for antibody catalysis of a cationic cyclization reaction.
Journal of molecular biology 2003;329(1):69-83.
2003: Patrick S Lee; Shogo Sakai; Peter Hörstermann; Wolfgang R Roth; E Adam Kallel; Kendall N Houk
Altering the allowed/forbidden gap in cyclobutene electrocyclic reactions: experimental and theoretical evaluations of the effect of planarity constraints.
Journal of the American Chemical Society 2003;125(19):5839-48.
2003: Xiyun Zhang; Kendall N Houk; Songnian Lin; Samuel J Danishefsky
Mechanism of cis-enamide formation from N-(alpha-silyl)allyl amides: synthetic potential of stepwise dyotropic rearrangements.
Journal of the American Chemical Society 2003;125(17):5111-4.
2003: Patrick S Lee; Xiyun Zhang; Kendall N Houk
Origins of inward torquoselectivity by silyl groups and other sigma-acceptors in electrocyclic reactions of cyclobutenes.
Journal of the American Chemical Society 2003;125(17):5072-9.
2003: Andrew G Leach; Kendall N Houk
The mechanism and regioselectivity of the ene reactions of nitroso compounds: a theoretical study of reactivity, regioselectivity, and kinetic isotope effects establishes a stepwise path involving polarized diradical intermediates.
Organic & biomolecular chemistry 2003;1(8):1389-403.
2003: S Bahmanyar; Kendall N Houk
Origins of opposite absolute stereoselectivities in proline-catalyzed direct Mannich and aldol reactions.
Organic letters 2003;5(8):1249-51.
2003: Andrew G Leach; Renxiao Wang; G Erich Wohlhieter; Saeed I Khan; Michael E Jung; Kendall N Houk
Theoretical elucidation of kinetic and thermodynamic control of radical addition regioselectivity.
Journal of the American Chemical Society 2003;125(14):4271-8.
2003: Leif P Olson; Michael D Bartberger; Kendall N Houk
Peroxynitrate and peroxynitrite: a complete basis set investigation of similarities and differences between these NOx species.
Journal of the American Chemical Society 2003;125(13):3999-4006.
2003: Carina E Cannizzaro; Jon A Ashley; Kim D Janda; Kendall N Houk
Experimental determination of the absolute enantioselectivity of an antibody-catalyzed Diels-Alder reaction and theoretical explorations of the origins of stereoselectivity.
Journal of the American Chemical Society 2003;125(9):2489-506.
2003: S Bahmanyar; Kendall N Houk; Harry J Martin; Benjamin List
Quantum mechanical predictions of the stereoselectivities of proline-catalyzed asymmetric intermolecular aldol reactions.
Journal of the American Chemical Society 2003;125(9):2475-9.
2003: Zhi-Xiang Yu; Kendall N Houk
Why trimerization? Computational elucidation of the origin of selective trimerization of ethene catalyzed by [TaCl3(CH3)2] and an agostic-assisted hydride transfer mechanism.
Angewandte Chemie (International ed. in English) 2003;42(7):808-11.
2003: Mahmood M Khaledy; Mohammad Y S Kalani; Kelli S Khuong; Kendall N Houk; Viktorya Aviyente; Reinhard Neier; Nicolas Soldermann; Joerg Velker
Origins of boat or chair preferences in the Ireland-Claisen rearrangements of cyclohexenyl esters: a theoretical study.
The Journal of organic chemistry 2003;68(2):572-7.
2003: Gregori Ujaque; Dean J Tantillo; Yunfeng Hu; Kendall N Houk; Kinya Hotta; Donald Hilvert
Catalysis on the coastline: theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole.
Journal of computational chemistry 2003;24(1):98-110.
2003: Linh Hoang; S Bahmanyar; Kendall N Houk; Benjamin List
Kinetic and stereochemical evidence for the involvement of only one proline molecule in the transition states of proline-catalyzed intra- and intermolecular aldol reactions.
Journal of the American Chemical Society 2003;125(1):16-7.
2002: Andrew G Leach; Kendall N Houk
The ene reactions of nitroso compounds involve polarized diradical intermediates.
Journal of the American Chemical Society 2002;124(50):14820-1.
2002: Xiyun Zhang; Qiaolin Deng; Sandy H Yoo; Kendall N Houk
Origins and predictions of stereoselective antibody catalysis: theoretical analysis of Diels-Alder catalysis by 39A11 and its germ-line antibody.
The Journal of organic chemistry 2002;67(25):9043-53.
2002: John Limanto; John Tallarico; James R Porter; Kelli S Khuong; Kendall N Houk; Marc L Snapper
Intramolecular cycloadditions of cyclobutadiene with olefins.
Journal of the American Chemical Society 2002;124(49):14748-58.
2002: Gregori Ujaque; Joseph E Norton; Kendall N Houk
Electrostatic interactions between substituents as regioselectivity control elements in Diels-Alder cycloadditions. A DFT study of cycloadditions of 1-methoxy-4-trimethylsiloxy dienes with acrylonitrile.
The Journal of organic chemistry 2002;67(21):7179-84.
2002: Sarah Wilsey; Kendall N Houk
"H/Vinyl" and "Alkyl/Vinyl" conical intersections leading to carbene formation from the excited states of cyclohexene and norbornene.
Journal of the American Chemical Society 2002;124(37):11182-90.
2002: Michael D Bartberger; Wei Liu; Eleonora Ford; Katrina M Miranda; Christopher H Switzer; Jon M Fukuto; Patrick J Farmer; David A Wink; Kendall N Houk
The reduction potential of nitric oxide (NO) and its importance to NO biochemistry.
Proceedings of the National Academy of Sciences of the United States of America 2002;99(17):10958-63.
2002: Leif P Olson; Keith T Kuwata; Michael D Bartberger; Kendall N Houk
Conformation-dependent state selectivity in O-O cleavage of ONOONO: an "inorganic cope rearrangement" helps explain the observed negative activation energy in the oxidation of nitric oxide by dioxygen.
Journal of the American Chemical Society 2002;124(32):9469-75.
2002: Ilyas Washington; Kendall N Houk
Epoxidations by peracid anions in water: ambiphilic oxenoid reactivity and stereoselectivity.
Organic letters 2002;4(16):2661-4.
2002: Gregori Ujaque; Patrick S Lee; Kendall N Houk; Martin F Hentemann; Samuel J Danishefsky
The origin of endo stereoselectivity in the hetero-Diels-Alder reactions of aldehydes with ortho-xylylenes: CH-pi, pi-pi, and steric effects on stereoselectivity.
Chemistry (Weinheim an der Bergstrasse, Germany) 2002;8(15):3423-30.
2002: Christopher P Suhrada; Kendall N Houk
Potential surface for the quadruply degenerate rearrangement of bicyclo[3.1.0]hex-2-ene.
Journal of the American Chemical Society 2002;124(30):8796-7.
2002: N S Tüzün; Viktorya Aviyente; Kendall N Houk
Theoretical study of factors controlling rates of cyclization of radical intermediates from diallylamine and diallylammonium monomers in radical polymerizations.
The Journal of organic chemistry 2002;67(15):5068-75.
2002: Andrew G Leach; Kendall N Houk
Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: transition states and mechanisms from contemporary theory.
Chemical communications (Cambridge, England) 2002;(12):1243-55.
2002: Carina E Cannizzaro; Kendall N Houk
Magnitudes and chemical consequences of R(3)N(+)-C-H...O[double bond]C hydrogen bonding.
Journal of the American Chemical Society 2002;124(24):7163-9.
2002: Susanna P Kim; Andrew G Leach; Kendall N Houk
The origins of noncovalent catalysis of intermolecular Diels-Alder reactions by cyclodextrins, self-assembling capsules, antibodies, and RNAses.
The Journal of organic chemistry 2002;67(12):4250-60.
2002: Andrew G Leach; Saron Catak; Kendall N Houk
Mechanism of the forbidden [3s,5s]-sigmatropic shift: orbital symmetry influences stepwise mechanisms involving diradical intermediates.
Chemistry (Weinheim an der Bergstrasse, Germany) 2002;8(6):1290-9.
2002: Dean J Tantillo; Kendall N Houk
Transition state docking: a probe for noncovalent catalysis in biological systems. Application to antibody-catalyzed ester hydrolysis.
Journal of computational chemistry 2002;23(1):84-95.
2001: S Bahmanyar; Kendall N Houk
The origin of stereoselectivity in proline-catalyzed intramolecular aldol reactions.
Journal of the American Chemical Society 2001;123(51):12911-2.
2001: S Bahmanyar; Kendall N Houk
Transition states of amine-catalyzed aldol reactions involving enamine intermediates: theoretical studies of mechanism, reactivity, and stereoselectivity.
Journal of the American Chemical Society 2001;123(45):11273-83.
2001: Craig A Merlic; Bruce N Hietbrink; Kendall N Houk
Donor and acceptor properties of the chromium tricarbonyl substituent in benzylic and homobenzylic anions, cations, and radicals.
The Journal of organic chemistry 2001;66(20):6738-44.
2001: M J Walker; Bruce N Hietbrink; Bert Thomas; K Nakamura; E Adam Kallel; Kendall N Houk
Torquoselectivity induced by lone-pair conjugation in the electrocyclic reactions of 1-azapolyenes.
The Journal of organic chemistry 2001;66(20):6669-72.
2001: Michael D Bartberger; J D Mannion; S C Powell; J S Stamler; Kendall N Houk; Eric J Toone
S-N dissociation energies of S-nitrosothiols: on the origins of nitrosothiol decomposition rates.
Journal of the American Chemical Society 2001;123(36):8868-9.
2001: Kendall N Houk; P S Lee; M Nendel
Polyacene and cyclacene geometries and electronic structures: bond equalization, vanishing band gaps, and triplet ground states contrast with polyacetylene.
The Journal of organic chemistry 2001;66(16):5517-21.
2001: Andrew G Leach; Kendall N Houk
Transition states and mechanisms of the hetero-Diels-Alder reactions of hyponitrous acid, nitrosoalkanes, nitrosoarenes, and nitrosocarbonyl compounds.
The Journal of organic chemistry 2001;66(15):5192-200.
2001: N S Green; E Reisler; Kendall N Houk
Quantitative evaluation of the lengths of homobifunctional protein cross-linking reagents used as molecular rulers.
Protein science : a publication of the Protein Society 2001;10(7):1293-304.
2001: Dean J Tantillo; Kendall N Houk
Canonical binding arrays as molecular recognition elements in the immune system: tetrahedral anions and the ester hydrolysis transition state.
Chemistry & biology 2001;8(6):535-45.
2001: Craig A Merlic; M M Miller; Bruce N Hietbrink; Kendall N Houk
Reactivity of (eta(6)-arene)tricarbonylchromium complexes toward additions of anions, cations, and radicals.
Journal of the American Chemical Society 2001;123(21):4904-18.
2001: J Chen; R Wang; M Taussig; Kendall N Houk
Quantitative calculations of antibody--antigen binding: steroid--DB3 binding energies by the linear interaction energy method.
The Journal of organic chemistry 2001;66(9):3021-6.
2001: J L Radkiewicz; H Zipse; S Clarke; Kendall N Houk
Neighboring side chain effects on asparaginyl and aspartyl degradation: an ab initio study of the relationship between peptide conformation and backbone NH acidity.
Journal of the American Chemical Society 2001;123(15):3499-506.
2001: Danielle Grée; L Vallerie; René Grée; loic toupet; Ilyas Washington; J P Pelicier; M Villacampa; J M Pérez; Kendall N Houk
Conformations of allylic fluorides and stereoselectivities of their diels-alder cycloadditions.
The Journal of organic chemistry 2001;66(7):2374-81.
2001: Dean J Tantillo; Kendall N Houk; Michael E Jung
Origins of stereoselectivity in intramolecular Diels-Alder cycloadditions of dienes and dienophiles linked by ester and amide tethers.
The Journal of organic chemistry 2001;66(6):1938-40.
2001: Michael D Bartberger; Jon M Fukuto; Kendall N Houk
On the acidity and reactivity of HNO in aqueous solution and biological systems.
Proceedings of the National Academy of Sciences of the United States of America 2001;98(5):2194-8.
2001: Kendall N Houk; J K Lee; Dean J Tantillo; S Bahmanyar; Bruce N Hietbrink
Crystal structures of orotidine monophosphate decarboxylase: does the structure reveal the mechanism of nature's most proficient enzyme?
Chembiochem : a European journal of chemical biology 2001;2(2):113-8.
2000: Shahrad M Behnam; Shahdad E Behnam; K Ando; N S Green; Kendall N Houk
Stereoelectronic, torsional, and steric effects on rates of enolization of ketones.
The Journal of organic chemistry 2000;65(26):8970-8.
2000: J Chen; Q Deng; R Wang; Kendall N Houk; D Hilvert
Shape complementarity, binding-site dynamics, and transition state stabilization: a theoretical study of Diels-Alder catalysis by antibody 1E9.
Chembiochem : a European journal of chemical biology 2000;1(4):255-61.
2000: Kinya Hotta; H Lange; Dean J Tantillo; Kendall N Houk; Donald Hilvert; Ian A Wilson
Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8.
Journal of molecular biology 2000;302(5):1213-25.
1999: K Nakamura; Kendall N Houk
Theoretical studies of the Wilcox molecular torsion balance. Is the edge-to-face aromatic interaction important?
Organic letters 1999;1(13):2049-51.
1999: J Xu; Q Deng; J Chen; Kendall N Houk; J Bartek; Donald Hilvert; Ian A Wilson
Evolution of shape complementarity and catalytic efficiency from a primordial antibody template.
Science (New York, N.Y.) 1999;286(5448):2345-8.
1999: Thomas Strassner; Kendall N Houk
Predictions of geometries and multiplicities of the manganese-oxo intermediates in the Jacobsen epoxidation.
Organic letters 1999;1(3):419-21.
1999: Karl Gruber; Bin Zhou; Kendall N Houk; Richard A Lerner; C G Shevlin; Ian A Wilson
Structural basis for antibody catalysis of a disfavored ring closure reaction.
Biochemistry 1999;38(22):7062-74.
1998: Michael D Bartberger; Leif P Olson; Kendall N Houk
Mechanisms of peroxynitrite oxidations and rearrangements: the theoretical perspective.
Chemical research in toxicology 1998;11(7):710-1.
1998: Andreas Heine; Enrico STURA; Jari Yli-Kauhaluoma; Changshou Gao; Q Deng; B R Beno; Kendall N Houk; Kim D Janda; Ian A Wilson
An antibody exo Diels-Alderase inhibitor complex at 1.95 angstrom resolution.
Science (New York, N.Y.) 1998;279(5358):1934-40.
1997: V Gupta; A K Ogawa; X Du; Kendall N Houk; RW Armstrong
A model for binding of structurally diverse natural product inhibitors of protein phosphatases PP1 and PP2A.
Journal of medicinal chemistry 1997;40(20):3199-206.
1997: J K Lee; Kendall N Houk
A proficient enzyme revisited: the predicted mechanism for orotidine monophosphate decarboxylase.
Science (New York, N.Y.) 1997;276(5314):942-5.
1996: Kendall N Houk; K Nakamura; C Sheu; A E Keating
Gating as a control element in constrictive binding and guest release by hemicarcerands.
Science (New York, N.Y.) 1996;273(5275):627-9.
1996: S Niwayama; Y You; Kendall N Houk; S I Khan
Two isoxazolidines.
Acta crystallographica. Section C, Crystal structure communications 1996;52 ( Pt 2)():486-9.
1993: V E Gouverneur; Kendall N Houk; B de Pascual-Teresa; B Beno; Kim D Janda; Richard A Lerner
Control of the exo and endo pathways of the Diels-Alder reaction by antibody catalysis.
Science (New York, N.Y.) 1993;262(5131):204-8.