Kendall Houk

This is a preview profile on BiomedExperts - the first literature-based scientific social network. It brings the right researchers together and allows them to collaborate online. Collexis and Dell provide the BiomedExperts network of +1.5 Million pre-calculated profiles free of charge to researchers worldwide.

Research Profile (preview)

Concepts & Ideas

Chemicals & Drugs

Phenomena

Sign-in to see full Profile

Sign-in to see all Coauthors

Publications

TOP 3
Chen Xin; Regan Colleen K; Craig Stephen L; Krenske Elizabeth H; Houk K N; Jorgensen William L; Brauman John I
Steric and solvation effects in ionic S(N)2 reactions.
Gutierrez Osvaldo; Iafe Robert G; Houk K N
Origin of stereoselectivity in the imidazolidinone-catalyzed reductions of cyclic alpha,beta-unsaturated ketones.
Wheeler Steven E; Moran Antonio; Pieniazek Susan N; Houk K N
Accurate reaction enthalpies and sources of error in DFT thermochemistry for aldol, Mannich, and alpha-aminoxylation reactions.

Sign-in to see all Publications

Sign in free and see...

Visualized networks:

See your personal network in
sophisticated graphical views

GeoTargeted Searches:

Locate experts around the world
and connect with global collaborators

Research Profiles:

See the visualized research activity
of experts around the globe

Sign-in to see more

Geonetwork of Kendall Houk (preview)

Cities where this author has publications
Cities where co-authors of this author have publications

Flash Player Required

Sign-in to see more

All Publications

2009: Chen Xin; Regan Colleen K; Craig Stephen L; Krenske Elizabeth H; Houk K N; Jorgensen William L; Brauman John I
Steric and solvation effects in ionic S(N)2 reactions.
Journal of the American Chemical Society 2009;131(44):16162-70.
2009: Gutierrez Osvaldo; Iafe Robert G; Houk K N
Origin of stereoselectivity in the imidazolidinone-catalyzed reductions of cyclic alpha,beta-unsaturated ketones.
Organic letters 2009;11(19):4298-301.
2009: Wheeler Steven E; Moran Antonio; Pieniazek Susan N; Houk K N
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: Hayden Amy E; DeChancie Jason; George Alexander H; Dai Mingji; Yu Maolin; Danishefsky Samuel J; Houk K N
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: Krenske Elizabeth H; Pryor William A; Houk K N
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: Smith Adam J T; Li Ying; Houk K N
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: Schoenebeck Franziska; Ess Daniel H; Jones Gavin O; Houk K N
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: Um Joann M; Xu Huadong; Houk K N; Tang Weiping
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: McCarren P R; Liu Peng; Cheong Paul Ha-Yeon; Jamison Timothy F; Houk K N
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: Gunaydin Hakan; Houk K N
Mechanisms of peroxynitrite-mediated nitration of tyrosine.
Chemical research in toxicology 2009;22(5):894-8.
2009: Garcia Yeimy; Schoenebeck Franziska; Legault Claude Y; Merlic Craig A; Houk K N
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: Hayden Amy E; Houk K N
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: Wheeler Steven E; Houk Kendall N; Schleyer Paul v R; Allen Wesley D
A hierarchy of homodesmotic reactions for thermochemistry.
Journal of the American Chemical Society 2009;131(7):2547-60.
2009: Schoenebeck Franziska; Houk K N
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: Lam Yu-hong; Cheong Paul Ha-Yeon; Blasco Mata José M; Stanway Steven J; Gouverneur Véronique; Houk K N
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: Hodgson David M; Bray Christopher D; Kindon Nicholas D; Reynolds Nigel J; Coote Steven J; Um Joann M; Houk K N
Synthesis and C-alkylation of hindered aldehyde enamines.
The Journal of organic chemistry 2009;74(3):1019-28.
2009: Penoni Andrea; Palmisano Giovanni; Zhao Yi-Lei; Houk Kendall N; Volkman Jerome; Nicholas Kenneth M
On the mechanism of nitrosoarene-alkyne cycloaddition.
Journal of the American Chemical Society 2009;131(2):653-61.
2009: Smith Adam J T; Zhang Xiyun; Leach Andrew G; Houk K N
Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins.
Journal of medicinal chemistry 2009;52(2):225-33.
2009: Xu Lai; Doubleday Charles E; Houk K N
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: Luft Jennifer A R; Winkler Tammo; Kessabi Fiona M; Houk K N
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: Calderón Félix; Doyagüez Elisa G; Cheong Paul Ha-Yeon; Fernández-Mayoralas Alfonso; Houk K N
Origins of the double asymmetric induction on proline-catalyzed aldol reactions.
The Journal of organic chemistry 2008;73(20):7916-20.
2008: Celebi-Olçüm Nihan; Ess Daniel H; Aviyente Viktorya; Houk K N
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: Ess Daniel H; Hayden Amy E; Klärner Frank-Gerrit; Houk K N
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: Houk K N; Cheong Paul Ha-Yeon
Computational prediction of small-molecule catalysts.
Nature 2008;455(7211):309-13.
2008: Jones Gavin O; Li Xuechen; Hayden Amy E; Houk K N; Danishefsky Samuel J
The coupling of isonitriles and carboxylic acids occurring by sequential concerted rearrangement mechanisms.
Organic letters 2008;10(18):4093-6.
2008: Gunaydin Hakan; Barabash Sergey V; Houk K N; Ozolins V
First-principles theory of hydrogen diffusion in aluminum.
Physical review letters 2008;101(7):075901.
2008: Wheeler Steven E; Houk K N
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: Krenske Elizabeth H; Houk K N; Arndtsen Bruce A; St Cyr Daniel J
Cyclic 1,3-dipoles or acyclic phosphonium ylides? Electronic characterization of "Montréalones".
Journal of the American Chemical Society 2008;130(31):10052-3.
2008: Gunaydin Hakan; Houk K N
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: Ess Daniel H; Houk K N
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: Anderson Christopher D; Dudding Travis; Gordillo Ruth; Houk K N
Origin of enantioselection in Hetero-Diels-Alder reactions catalyzed by naphthyl-TADDOL.
Organic letters 2008;10(13):2749-52.
2008: Kessabi Fiona Murphy; Winkler Tammo; Luft Jennifer A R; Houk K N
Rearrangement of a cyclohexyl radical to a cyclopentylmethyl radical on the avermectin skeleton.
Organic letters 2008;10(11):2255-8.
2008: Röthlisberger Daniela; Khersonsky Olga; Wollacott Andrew M; Jiang Lin; DeChancie Jason; Betker Jamie; Gallaher Jasmine L; Althoff Eric A; Zanghellini Alexandre; Dym Orly; Albeck Shira; Houk Kendall N; Tawfik Dan S; Baker David
Kemp elimination catalysts by computational enzyme design.
Nature 2008;453(7192):190-5.
2008: Ess Daniel H; Jones Gavin O; Houk K N
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: Iafe Robert G; Houk K N
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: Cheong Paul Ha-Yeon; Morganelli Philip; Luzung Michael R; Houk K N; Toste F Dean
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: Houk K N; Jabbari Arash; Hall H K; Aleman Carlos
Why delta-valerolactone polymerizes and gamma-butyrolactone does not.
The Journal of organic chemistry 2008;73(7):2674-8.
2008: Jiang Lin; Althoff Eric A; Clemente Fernando R; Doyle Lindsey; Röthlisberger Daniela; Zanghellini Alexandre; Gallaher Jasmine L; Betker Jamie L; Tanaka Fujie; Barbas Carlos F; Hilvert Donald; Houk Kendall N; Stoddard Barry L; Baker David
De novo computational design of retro-aldol enzymes.
Science (New York, N.Y.) 2008;319(5868):1387-91.
2008: Gunaydin Hakan; Houk Kendall N; Ozolins Vidvuds
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: Yu Zhi-Xiang; Cheong Paul Ha-Yeon; Liu Peng; Legault Claude Y; Wender Paul A; Houk K N
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: Wheeler Steven E; Ess Daniel H; Houk K N
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: Jones Gavin O; Houk K N
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: Zhang Xiyun; DeChancie Jason; Gunaydin Hakan; Chowdry Arnab B; Clemente Fernando R; Smith Adam J T; Handel T M; Houk K N
Quantum mechanical design of enzyme active sites.
The Journal of organic chemistry 2008;73(3):889-99.
2008: Zhang Haile; Mitsumori Susumu; Utsumi Naoto; Imai Masanori; Garcia-Delgado Noemi; Mifsud Maria; Albertshofer Klaus; Cheong Paul Ha-Yeon; Houk K N; Tanaka Fujie; Barbas Carlos F
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: Ess Daniel H; Wheeler Steven E; Iafe Robert G; Xu Lai; Celebi-Olçüm Nihan; Houk Kendall N
Bifurcations on potential energy surfaces of organic reactions.
Angewandte Chemie (International ed. in English) 2008;47(40):7592-601.
2008: Pieniazek Susan N; Clemente Fernando R; Houk Kendall N
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: Bishop Lee M; Winkler Michael; Houk Kendall N; Bergman Robert G; Trauner Dirk
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: Pye Philip J; Zhong Yong-Li; Jones Gavin O; Reamer Robert A; Houk Kendall N; Askin David
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: Liu Peng; Cheong Paul Ha-Yeon; Yu Zhi-Xiang; Wender Paul A; Houk Kendall N
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: Tredwell Matthew; Luft Jennifer A R; Schuler Marie; Tenza Kenny; Houk Kendall N; Gouverneur Véronique
Fluorine-directed diastereoselective iodocyclizations.
Angewandte Chemie (International ed. in English) 2008;47(2):357-60.
2007: Chen Zhongfang; Jiang De-en; Lu Xin; Bettinger Holger F; Dai Sheng; Schleyer Paul von Ragué; Houk Kendall N
Open-shell singlet character of cyclacenes and short zigzag nanotubes.
Organic letters 2007;9(26):5449-52.
2007: Stanton Courtney L; Kuo I-Feng W; Mundy Christopher J; Laino Teodoro; Houk K N
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: Legault Claude Y; Garcia Yeimy; Merlic Craig A; Houk K N
Origin of regioselectivity in palladium-catalyzed cross-coupling reactions of polyhalogenated heterocycles.
Journal of the American Chemical Society 2007;129(42):12664-5.
2007: Dechancie Jason; Clemente Fernando R; Smith Adam J T; Gunaydin Hakan; Zhao Yi-Lei; Zhang Xiyun; Houk K N
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: Ess Daniel H; Houk K N
Distortion/interaction energy control of 1,3-dipolar cycloaddition reactivity.
Journal of the American Chemical Society 2007;129(35):10646-7.
2007: Min Sun-Joon; Jones Gavin O; Houk K N; Danishefsky Samuel J
Creating quaternary centers with high exo stereoselectivity using activated alpha-alkynyl dienophiles.
Journal of the American Chemical Society 2007;129(33):10078-9.
2007: Natarajan Arunkumar; Tsai C K; Khan Saeed I; McCarren Patrick; Houk K N; Garcia-Garibay Miguel A
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: Adaligil Emel; Davis Barry D; Hilmey David G; Shen Young; Spruell Jason M; Brodbelt Jennifer S; Houk K N; Paquette Leo A
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: Wan Shuangyi; Gunaydin Hakan; Houk K N; Floreancig Paul E
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: Leca Dominique; Gaggini Francesca; Cassayre Jérôme; Loiseleur Olivier; Pieniazek Susan N; Luft Jennifer A R; Houk K N
Acid-catalyzed aza-Diels-Alder reactions for the total synthesis of (+/-)-lapatin B.
The Journal of organic chemistry 2007;72(11):4284-7.
2007: Northrop Brian H; Norton Joseph E; Houk K N
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: DeChancie Jason; Houk K N
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: Moss Robert A; Tian Jingzhi; Sauers Ronald R; Ess Daniel H; Houk Kendall N; Krogh-Jespersen Karsten
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: Celebi-Olçüm Nihan; Ess Daniel H; Aviyente Viktorya; Houk K N
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: Jarowski Peter D; Houk K N; Garcia-Garibay Miguel A
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: Luft Jennifer A R; Meleson Kieche; Houk K N
Transition structures of diastereoselective 1,3-dipolar cycloadditions of nitrile oxides to chiral homoallylic alcohols.
Organic letters 2007;9(4):555-8.
2007: Gordillo Ruth; Dudding Travis; Anderson Christopher D; Houk K N
Hydrogen bonding catalysis operates by charge stabilization in highly polar Diels-Alder reactions.
Organic letters 2007;9(3):501-3.
2007: Dai Mingji; Sarlah David; Yu Maolin; Danishefsky Samuel J; Jones Gavin O; Houk K N
Highly selective Diels-Alder reactions of directly connected enyne dienophiles.
Journal of the American Chemical Society 2007;129(3):645-57.
2007: Wannere Chaitanya S; Paul Ankan; Herges Rainer; Houk K N; Schaefer Henry F; von Ragué Schleyer Paul
The existence of secondary orbital interactions.
Journal of computational chemistry 2007;28(1):344-61.
2007: Wodrich Matthew D; Wannere Chaitanya S; Mo Yirong; Jarowski Peter D; Houk Kendall N; Schleyer Paul von Ragué
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: Jabbari Arash; Houk K N
Hetero-cope rearrangements of nitrosobutenes. DFT studies of thermal and acid-catalyzed reactions.
Organic letters 2006;8(26):5975-8.
2006: Norton Joseph E; Northrop Brian H; Nuckolls Colin; Houk K N
Why 6-methylpentacene deconjugates but avoids the thermally allowed unimolecular mechanism.
Organic letters 2006;8(21):4915-8.
2006: Chuang Shih-Ching; Clemente Fernando R; Khan Saeed I; Houk K N; Rubin Yves
Approaches to open fullerenes: a 1,2,3,4,5,6-hexaadduct of C60.
Organic letters 2006;8(20):4525-8.
2006: Pryor William A; Houk Kendall N; Foote Christopher S; Fukuto Jon M; Ignarro Louis J; Squadrito Giuseppe L; Davies Kelvin J A
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: Zhao Yi-Lei; Suhrada Christopher P; Jung Michael E; Houk K N
Theoretical investigation of the stereoselective stepwise cope rearrangement of a 3-vinylmethylenecyclobutane.
Journal of the American Chemical Society 2006;128(34):11106-13.
2006: Paulson Suzanne E; Liu De-Ling; Orzechowska Grazyna E; Campos Luis M; Houk K N
Photolysis of heptanal.
The Journal of organic chemistry 2006;71(17):6403-8.
2006: Norton Joseph E; Briseno Alejandro L; Wudl Fred; Houk K N
Lone-pair orbital interactions in polythiaadamantanes.
The journal of physical chemistry. A 2006;110(32):9887-99.
2006: Iafe Robert G; Houk K N
Stereoselectivity control by torsional steering in an intramolecular Diels-Alder reaction of vinyl oxocarbenium ions.
Organic letters 2006;8(16):3469-72.
2006: Lee Michelle; Lloyd Peter; Zhang Xiyun; Schallhorn Julie M; Sugimoto Keiki; Leach Andrew G; Sapiro Guillermo; Houk K N
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: Jabbari Arash; Sorensen Erik J; Houk K N
Transition states of the retro-ene reactions of allylic diazenes.
Organic letters 2006;8(14):3105-7.
2006: Hayden Amy E; Xu Hao; Nicolaou K C; Houk K N
Origins of selectivity in pericyclic reaction cascades for the synthesis of gambogin and lateriflorone.
Organic letters 2006;8(14):2989-92.
2006: Norton Joseph E; Olson Leif P; Houk K N
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: Jarowski P D; Diederich F; Houk K N
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: Brough Branden; Northrop Brian H; Schmidt Jacob J; Tseng Hsian-Rong; Houk Kendall N; Stoddart J Fraser; Ho Chih-Ming
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: Northrop Brian H; O'Malley Daniel P; Zografos Alexandros L; Baran Phil S; Houk K N
Mechanism of the vinylcyclobutane rearrangement of sceptrin to ageliferin and nagelamide E.
Angewandte Chemie (International ed. in English) 2006;45(25):4126-30.
2006: Cheong Paul Ha-Yeon; Yun Heedong; Danishefsky Samuel J; Houk K N
Torsional steering controls the stereoselectivity of epoxidation in the guanacastepene a synthesis.
Organic letters 2006;8(8):1513-6.
2006: Gordillo Ruth; Houk K N
Origins of stereoselectivity in Diels-Alder cycloadditions catalyzed by chiral imidazolidinones.
Journal of the American Chemical Society 2006;128(11):3543-53.
2006: Dutton Andrew S; Suhrada Christopher P; Miranda Katrina M; Wink David A; Fukuto Jon M; Houk K N
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: Cheong Paul Ha-Yeon; Zhang Haile; Thayumanavan Rajee; Tanaka Fujie; Houk K N; Barbas Carlos F
Pipecolic acid-catalyzed direct asymmetric mannich reactions.
Organic letters 2006;8(5):811-4.
2006: Zhao Yi-Lei; Houk K N
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: Jones Gavin O; Guner Vildan A; Houk K N
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: Mitsumori Susumu; Zhang Haile; Ha-Yeon Cheong Paul; Houk K N; Tanaka Fujie; Barbas Carlos F
Direct asymmetric anti-Mannich-type reactions catalyzed by a designed amino acid.
Journal of the American Chemical Society 2006;128(4):1040-1.
2006: Pieniazek Susan N; Houk Kendall N
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: Doubleday Charles; Suhrada Christopher P; Houk K N
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: Northrop Brian H; Houk K N
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: Miranda Katrina M; Katori Tatsuo; Torres de Holding Claudia L; Thomas Lynta; Ridnour Lisa A; McLendon William J; Cologna Stephanie M; Dutton Andrew S; Champion Hunter C; Mancardi Daniele; Tocchetti Carlo G; Saavedra Joseph E; Keefer Larry K; Houk K N; Fukuto Jon M; Kass David A; Paolocci Nazareno; Wink David A
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: Zhang Xiyun; Houk K N
Acid/base catalysis by pure water: the aldol reaction.
The Journal of organic chemistry 2005;70(24):9712-6.
2005: Liu Y; Vignon S A; Zhang X; Bonvallet P A; Khan S I; Houk K N; Stoddart J F
Dynamic chirality in donor-acceptor pretzelanes.
The Journal of organic chemistry 2005;70(23):9334-44.
2005: Ess Daniel H; Houk K N
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: Clemente Fernando R; Houk K N
Theoretical studies of stereoselectivities of intramolecular aldol cyclizations catalyzed by amino acids.
Journal of the American Chemical Society 2005;127(32):11294-302.
2005: Zhao Yi-Lei; McCarren Patrick R; Houk K N; Choi Bo Yoon; Toone Eric J
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: Liu Yi; Vignon Scott A; Zhang Xiyun; Houk K N; Stoddart J Fraser
Conformational diastereoisomerism in a chiral pretzelane.
Chemical communications (Cambridge, England) 2005;(31):3927-9.
2005: Palmer Liam C; Zhao Yi-Lei; Houk K N; Rebek Julius
Diastereoselection of chiral acids in a cylindrical capsule.
Chemical communications (Cambridge, England) 2005;(29):3667-9.
2005: Campos Luis M; Warrier Manoj V; Peterfy Krisztina; Houk K N; Garcia-Garibay Miguel A
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: Zhao Yi-Lei; Bartberger Michael D; Goto Kei; Shimada Keiichi; Kawashima Takayuki; Houk K N
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: Suhrada Christopher P; Selçuki Cenk; Nendel Maja; Cannizzaro Carina; Houk K N; Rissing Peter-Jürgen; Baumann Dirk; Hasselmann Dieter
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: Dutton Andrew S; Fukuto Jon M; Houk Kendall N
Theoretical reduction potentials for nitrogen oxides from CBS-QB3 energetics and (C)PCM solvation calculations.
Inorganic chemistry 2005;44(11):4024-8.
2005: Zhang Xiyun; Houk K N
Why enzymes are proficient catalysts: beyond the Pauling paradigm.
Accounts of chemical research 2005;38(5):379-85.
2005: Fukuto Jon M; Bartberger Michael D; Dutton Andrew S; Paolocci Nazareno; Wink David A; Houk K N
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: Caramella Pierluigi; Quadrelli Paolo; Toma Lucio; Romano Silvano; Khuong Kelli S; Northrop Brian; Houk K N
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: Fukuto Jon M; Dutton Andrew S; Houk Kendall N
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: Norton Joseph E; Houk K N
Electronic structures and properties of twisted polyacenes.
Journal of the American Chemical Society 2005;127(12):4162-3.
2005: Khuong Kelli S; Beaudry Chris M; Trauner Dirk; Houk K N
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: Jarowski Peter D; Diederich François; Houk Kendall N
Structures and stabilities of diacetylene-expanded polyhedranes by quantum mechanics and molecular mechanics.
The Journal of organic chemistry 2005;70(5):1671-8.
2005: Khuong Kelli S; Jones Walter H; Pryor William A; Houk K N
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: Miranda Katrina M; Dutton Andrew S; Ridnour Lisa A; Foreman Christian A; Ford Eleonora; Paolocci Nazareno; Katori Tatsuo; Tocchetti Carlo G; Mancardi Daniele; Thomas Douglas D; Espey Michael G; Houk K N; Fukuto Jon M; Wink David A
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: Zhang Xiyun; Houk Kendall N; Leighton James L
Origins of stereoselectivity in strain-release allylations.
Angewandte Chemie (International ed. in English) 2005;44(6):938-41.
2005: Dutton Andrew S; Fukuto Jon M; Houk K N
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: Jung Michael E; Min Sun-Joon; Houk K N; Ess Daniel
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: Jarowski P D; Wodrich M D; Wannere C S; Schleyer P V R; Houk K N
How large is the conjugative stabilization of diynes?
Journal of the American Chemical Society 2004;126(46):15036-7.
2004: Khuong Tinh-Alfredo V; Zepeda Gerardo; Sanrame Carlos N; Dang Hung; Bartberger Michael D; Houk K N; Garcia-Garibay Miguel A
Crankshaft motion in a highly congested bis(triarylmethyl)peroxide.
Journal of the American Chemical Society 2004;126(45):14778-86.
2004: Guner Vildan Adar; Houk K N; Davies Ian W
Computational studies on the electrocyclizations of 1-amino-1,3,5-hexatrienes.
The Journal of organic chemistry 2004;69(23):8024-8.
2004: Akerling Zeve R; Norton Joseph E; Houk K N
DFT study of pericyclic reaction cascades in the synthesis of antibiotic TAN-1085.
Organic letters 2004;6(23):4273-5.
2004: Cheong Paul Ha-Yeon; Houk K N
Origins of selectivities in proline-catalyzed alpha-aminoxylations.
Journal of the American Chemical Society 2004;126(43):13912-3.
2004: Clemente Fernando R; Houk K N
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: Williams Avril R; Northrop Brian H; Houk Kendall N; Stoddart J Fraser; Williams David J
The influence of constitutional isomerism and change on molecular recognition processes.
Chemistry (Weinheim an der Bergstrasse, Germany) 2004;10(21):5406-21.
2004: Zhao Yi-Lei; Houk K N; Rechavi Dalit; Scarso Alessandro; Rebek Julius
Equilibrium isotope effects as a probe of nonbonding attractions.
Journal of the American Chemical Society 2004;126(37):11428-9.
2004: Cannizzaro Carina E; Houk K N
Theoretical study of the stereoselective additions of chiral alcohols to ketenes.
Journal of the American Chemical Society 2004;126(35):10992-1008.
2004: Allemann Christophe; Gordillo Ruth; Clemente Fernando R; Cheong Paul Ha-Yeon; Houk K N
Theory of asymmetric organocatalysis of Aldol and related reactions: rationalizations and predictions.
Accounts of chemical research 2004;37(8):558-69.
2004: Black Kersey A; Leach Andrew G; Kalani M Yashar S; Houk K N
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: Yu Zhi-Xiang; Wender Paul A; Houk K N
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: Vayner Grigoriy; Houk K N; Jorgensen William L; Brauman John I
Steric retardation of SN2 reactions in the gas phase and solution.
Journal of the American Chemical Society 2004;126(29):9054-8.
2004: Hu Yunfeng; Houk K N; Kikuchi Kazuya; Hotta Kinya; Hilvert Donald
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: Auffrant Audrey; Jaun Bernhard; Jarowski Peter D; Houk Kendall N; Diederich François
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: Bendikov Michael; Duong Hieu M; Starkey Kyle; Houk K N; Carter Emily A; Wudl Fred
Oligoacenes: theoretical prediction of open-shell singlet diradical ground states.
Journal of the American Chemical Society 2004;126(24):7416-7.
2004: Dudding Travis; Houk Kendall N
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: Tantillo Dean J; Hoffmann Roald; Houk Kendall N; Warner Philip M; Brown Eric C; Henze Daven K
Extended barbaralanes: sigmatropic shiftamers or sigma-polyacenes?
Journal of the American Chemical Society 2004;126(13):4256-63.
2004: Dutton Andrew S; Fukuto Jon M; Houk K N
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: Davies Ian W; Guner Vildan A; Houk K N
Theoretical evidence for oxygenated intermediates in the reductive cyclization of nitrobenzenes.
Organic letters 2004;6(5):743-6.
2004: Davies Ian W; Marcoux Jean-François; Kuethe Jeffery T; Lankshear Michael D; Taylor Jeremy D O; Tsou Nancy; Dormer Peter G; Hughes David L; Houk K N; Guner Vildan
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: Dutton Andrew S; Fukuto Jon M; Houk K N
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: Vayner Grigoriy; Houk K N; Sun Y-K
Origins of enantioselectivity in reductions of ketones on cinchona alkaloid modified platinum.
Journal of the American Chemical Society 2004;126(1):199-203.
2003: Limanto John; Khuong Kelli S; Houk K N; Snapper Marc L
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: Yu Zhi-Xiang; Caramella Pierluigi; Houk K N
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: Hamilton Diana S; Zhang Xiyun; Ding Zhebo; Hubatsch Ina; Mannervik Bengt; Houk K N; Ganem Bruce; Creighton Donald J
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: Khuong Kelli S; Houk K N
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: Prakesch Michael; Grée Danielle; Grée René; Carter Jennifer; Washington Ilyas; Houk K N
Stereoselectivity of nitrile oxide cycloadditions to chiral allylic fluorides: experiment and theory.
Chemistry (Weinheim an der Bergstrasse, Germany) 2003;9(22):5664-72.
2003: Yu Zhi-Xiang; Houk K N
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: Houk K N; Leach Andrew G; Kim Susanna P; Zhang Xiyun
Binding affinities of host-guest, protein-ligand, and protein-transition-state complexes.
Angewandte Chemie (International ed. in English) 2003;42(40):4872-97.
2003: Jung Michael E; van den Heuvel Alexandra; Leach Andrew G; Houk K N
Unexpected syn hydride migration in the non-aldol aldol reaction.
Organic letters 2003;5(19):3375-8.
2003: Cho Jennifer Y; Dutton Andrew; Miller Tom; Houk K N; Fukuto Jon M
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: Washington Ilyas; Houk K N; Armstrong Alan
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: Leach Andrew G; Goldstein E; Houk K N
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: Vogel Emanuel; Michels Martin; Zander Lars; Lex Johann; Tuzun Nurcan S; Houk Kendall N
Spirodiporphyrins--as binuclear metal complexes.
Angewandte Chemie (International ed. in English) 2003;42(25):2857-62.
2003: Houk K N; Hietbrink Bruce N; Bartberger Michael D; McCarren Patrick R; Choi Bo Yoon; Voyksner Robert D; Stamler Jonathan S; Toone Eric J
Nitroxyl disulfides, novel intermediates in transnitrosation reactions.
Journal of the American Chemical Society 2003;125(23):6972-6.
2003: Zhu Xueyong; Heine Andreas; Monnat Frédéric; Houk K N; Janda Kim D; Wilson Ian A
Structural basis for antibody catalysis of a cationic cyclization reaction.
Journal of molecular biology 2003;329(1):69-83.
2003: Lee Patrick S; Sakai Shogo; Hörstermann Peter; Roth Wolfgang R; Kallel E Adam; Houk K N
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: Leach Andrew G; Houk K N
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: Zhang Xiyun; Houk K N; Lin Songnian; Danishefsky Samuel J
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: Lee Patrick S; Zhang Xiyun; Houk K N
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: Bahmanyar S; Houk K N
Origins of opposite absolute stereoselectivities in proline-catalyzed direct Mannich and aldol reactions.
Organic letters 2003;5(8):1249-51.
2003: Leach Andrew G; Wang Renxiao; Wohlhieter G Erich; Khan Saeed I; Jung Michael E; Houk K N
Theoretical elucidation of kinetic and thermodynamic control of radical addition regioselectivity.
Journal of the American Chemical Society 2003;125(14):4271-8.
2003: Olson Leif P; Bartberger Michael D; Houk K N
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: Cannizzaro Carina E; Ashley Jon A; Janda K D; Houk K N
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: Bahmanyar S; Houk K N; Martin Harry J; List Benjamin
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: Yu Zhi-Xiang; Houk K N
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: Khaledy Mahmood M; Kalani Mohammad Y S; Khuong Kelli S; Houk K N; Aviyente Viktorya; Neier Reinhard; Soldermann Nicolas; Velker Joerg
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: Hoang Linh; Bahmanyar S; Houk K N; List Benjamin
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.
2003: Ujaque Gregori; Tantillo Dean J; Hu Yunfeng; Houk K N; Hotta Kinya; Hilvert Donald
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.
2002: Leach Andrew G; Houk K N
The ene reactions of nitroso compounds involve polarized diradical intermediates.
Journal of the American Chemical Society 2002;124(50):14820-1.
2002: Zhang Xiyun; Deng Qiaolin; Yoo Sandy H; Houk K N
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: Limanto John; Tallarico John A; Porter James R; Khuong Kelli S; Houk K N; Snapper Marc L
Intramolecular cycloadditions of cyclobutadiene with olefins.
Journal of the American Chemical Society 2002;124(49):14748-58.
2002: Ujaque Gregori; Norton Joseph E; Houk K N
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: Wilsey Sarah; Houk K N
"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: Ujaque Gregori; Lee Patrick S; Houk K N; Hentemann Martin F; Danishefsky Samuel J
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: Bartberger Michael D; Liu Wei; Ford Eleonora; Miranda Katrina M; Switzer Christopher; Fukuto Jon M; Farmer Patrick J; Wink David A; Houk Kendall N
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: Olson Leif P; Kuwata Keith T; Bartberger Michael D; Houk K N
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: Washington Ilyas; Houk K N
Epoxidations by peracid anions in water: ambiphilic oxenoid reactivity and stereoselectivity.
Organic letters 2002;4(16):2661-4.
2002: Suhrada Christopher P; Houk K N
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: Tüzün N S; Aviyente V; Houk K N
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: Leach Andrew G; Houk K N
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: Cannizzaro Carina E; Houk K N
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: Kim Susanna P; Leach Andrew G; Houk K N
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: Leach Andrew G; Catak Saron; Houk K N
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: Tantillo Dean J; Houk K N
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: Bahmanyar S; Houk K N
The origin of stereoselectivity in proline-catalyzed intramolecular aldol reactions.
Journal of the American Chemical Society 2001;123(51):12911-2.
2001: Bahmanyar S; Houk K N
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: Merlic C A; Hietbrink B N; Houk K N
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: Walker M J; Hietbrink B N; Thomas B E; Nakamura K; Kallel E A; Houk K N
Torquoselectivity induced by lone-pair conjugation in the electrocyclic reactions of 1-azapolyenes.
The Journal of organic chemistry 2001;66(20):6669-72.
2001: Bartberger M D; Mannion J D; Powell S C; Stamler J S; Houk K N; Toone E J
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: Houk K N; Lee P S; Nendel M
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: Leach A G; Houk K N
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: Green N S; Reisler E; Houk K N
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: Tantillo D J; Houk K N
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: Merlic C A; Miller M M; Hietbrink B N; Houk K N
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: Chen J; Wang R; Taussig M; Houk K N
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: Radkiewicz J L; Zipse H; Clarke S; Houk K N
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: Grée D; Vallerie L; Grée R; Toupet L; Washington I; Pelicier J P; Villacampa M; Pérez J M; Houk K N
Conformations of allylic fluorides and stereoselectivities of their diels-alder cycloadditions.
The Journal of organic chemistry 2001;66(7):2374-81.
2001: Tantillo D J; Houk K N; Jung M E
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: Houk K N; Lee J K; Tantillo D J; Bahmanyar S; Hietbrink B N
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.
2001: Bartberger M D; Fukuto J M; Houk K N
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.
2000: Behnam S M; Behnam S E; Ando K; Green N S; Houk K N
Stereoelectronic, torsional, and steric effects on rates of enolization of ketones.
The Journal of organic chemistry 2000;65(26):8970-8.
2000: Chen J; Deng Q; Wang R; Houk K; Hilvert D
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: Hotta K; Lange H; Tantillo D J; Houk K N; Hilvert D; Wilson I A
Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8.
Journal of molecular biology 2000;302(5):1213-25.
1999: Nakamura K; Houk K N
Theoretical studies of the Wilcox molecular torsion balance. Is the edge-to-face aromatic interaction important?
Organic letters 1999;1(13):2049-51.
1999: Xu J; Deng Q; Chen J; Houk K N; Bartek J; Hilvert D; Wilson I A
Evolution of shape complementarity and catalytic efficiency from a primordial antibody template.
Science (New York, N.Y.) 1999;286(5448):2345-8.
1999: Strassner T; Houk K N
Predictions of geometries and multiplicities of the manganese-oxo intermediates in the Jacobsen epoxidation.
Organic letters 1999;1(3):419-21.
1999: Gruber K; Zhou B; Houk K N; Lerner R A; Shevlin C G; Wilson I A
Structural basis for antibody catalysis of a disfavored ring closure reaction.
Biochemistry 1999;38(22):7062-74.
1998: Bartberger M D; Olson L P; Houk K N
Mechanisms of peroxynitrite oxidations and rearrangements: the theoretical perspective.
Chemical research in toxicology 1998;11(7):710-1.
1998: Heine A; Stura E A; Yli-Kauhaluoma J T; Gao C; Deng Q; Beno B R; Houk K N; Janda K D; Wilson I A
An antibody exo Diels-Alderase inhibitor complex at 1.95 angstrom resolution.
Science (New York, N.Y.) 1998;279(5358):1934-40.
1997: Gupta V; Ogawa A K; Du X; Houk K N; Armstrong R W
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: Lee J K; Houk K N
A proficient enzyme revisited: the predicted mechanism for orotidine monophosphate decarboxylase.
Science (New York, N.Y.) 1997;276(5314):942-5.
1996: Houk K N; Nakamura K; Sheu C; Keating A E
Gating as a control element in constrictive binding and guest release by hemicarcerands.
Science (New York, N.Y.) 1996;273(5275):627-9.
1996: Niwayama S; You Y; Houk K N; Khan S I
Two isoxazolidines.
Acta crystallographica. Section C, Crystal structure communications 1996;52 ( Pt 2)():486-9.
1993: Gouverneur V E; Houk K N; de Pascual-Teresa B; Beno B; Janda K D; Lerner R A
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.

Sign-in to see more

Sign-in free and Explore the Exciting World of BiomedExperts:

NetworkView

Kendall Houk

Research Profile (preview)

Concepts & Ideas

Chemicals & Drugs

Phenomena

Occupations

Genes & Molecular Sequences

Procedures

Activities & Behaviors

Network (preview)

Publications

Sign in free and see...

Visualized networks:

GeoTargeted Searches:

Research Profiles:

Geonetwork of Kendall Houk (preview)

All Publications