Username

Password

Preview

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

Over 1.500.000 Profiles
More than 1.800 Organizations worldwide
State of the Art Network Visualizations

Manage your own Profile
Locate Experts in your Country/Region
Locate Experts in your 1. and 2. Level Network
Connect to Experts Worldwide

NetworkView

Irwin Kuntz

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

Occupations

Activities & Behaviors

Phenomena

Genes & Molecular Sequences

Sign-in to see full Profile

Sign-in to see all Coauthors

Publications

TOP 3
Lang P Therese; Brozell Scott R; Mukherjee Sudipto; Pettersen Eric F; Meng Elaine C; Thomas Veena; Rizzo Robert C; Case David A; James Thomas L; Kuntz Irwin D
DOCK 6: combining techniques to model RNA-small molecule complexes.
Guo Xin; Bandyopadhyay Pradipta; Schilling Birgit; Young Malin M; Fujii Naoaki; Aynechi Tiba; Guy R Kiplin; Kuntz Irwin D; Gibson Bradford W
Partial acetylation of lysine residues improves intraprotein cross-linking.
Fujii Naoaki; Haresco Jose J; Novak Kathleen A P; Gage Robert M; Pedemonte Nicoletta; Stokoe David; Kuntz Irwin D; Guy R Kiplin
Rational design of a nonpeptide general chemical scaffold for reversible inhibition of PDZ domain interactions.

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 Irwin Kuntz (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: Lang P Therese; Brozell Scott R; Mukherjee Sudipto; Pettersen Eric F; Meng Elaine C; Thomas Veena; Rizzo Robert C; Case David A; James Thomas L; Kuntz Irwin D
DOCK 6: combining techniques to model RNA-small molecule complexes.
RNA (New York, N.Y.) 2009;15(6):1219-30.
2008: Guo Xin; Bandyopadhyay Pradipta; Schilling Birgit; Young Malin M; Fujii Naoaki; Aynechi Tiba; Guy R Kiplin; Kuntz Irwin D; Gibson Bradford W
Partial acetylation of lysine residues improves intraprotein cross-linking.
Analytical chemistry 2008;80(4):951-60.
2007: Fujii Naoaki; Haresco Jose J; Novak Kathleen A P; Gage Robert M; Pedemonte Nicoletta; Stokoe David; Kuntz Irwin D; Guy R Kiplin
Rational design of a nonpeptide general chemical scaffold for reversible inhibition of PDZ domain interactions.
Bioorganic & medicinal chemistry letters 2007;17(2):549-52.
2006: Moustakas Demetri T; Lang P Therese; Pegg Scott; Pettersen Eric; Kuntz Irwin D; Brooijmans Natasja; Rizzo Robert C
Development and validation of a modular, extensible docking program: DOCK 5.
Journal of computer-aided molecular design 2006;20(10-11):601-19.
2006: Lu Felice; Chi Seung-Wook; Kim Do-Hyoung; Han Kyou-Hoon; Kuntz Irwin D; Guy R Kiplin
Proteomimetic libraries: design, synthesis, and evaluation of p53-MDM2 interaction inhibitors.
Journal of combinatorial chemistry 2006;8(3):315-25.
2005: Ye Shiming; Huang Yadong; Müllendorff Karin; Dong Liming; Giedt Gretchen; Meng Elaine C; Cohen Fred E; Kuntz Irwin D; Weisgraber Karl H; Mahley Robert W
Apolipoprotein (apo) E4 enhances amyloid beta peptide production in cultured neuronal cells: apoE structure as a potential therapeutic target.
Proceedings of the National Academy of Sciences of the United States of America 2005;102(51):18700-5.
2005: Aynechi Tiba; Kuntz Irwin D
An information theoretic approach to macromolecular modeling: II. Force fields.
Biophysical journal 2005;89(5):3008-16.
2005: Aynechi Tiba; Kuntz Irwin D
An information theoretic approach to macromolecular modeling: I. Sequence alignments.
Biophysical journal 2005;89(5):2998-3007.
2005: Lang Paula Therese; Kuntz Irwin D; Maggiora Gerald M; Bajorath Jürgen
Evaluating the high-throughput screening computations.
Journal of biomolecular screening : the official journal of the Society for Biomolecular Screening 2005;10(7):649-52.
2005: Wang Junmei; Kang Xinshan; Kuntz Irwin D; Kollman Peter A
Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA.
Journal of medicinal chemistry 2005;48(7):2432-44.
2004: Arnold James R; Burdick Keith W; Pegg Scott C-H; Toba Samuel; Lamb Michelle L; Kuntz Irwin D
SitePrint: three-dimensional pharmacophore descriptors derived from protein binding sites for family based active site analysis, classification, and drug design.
Journal of chemical information and computer sciences 2004;44(6):2190-8.
2004: Chambers James J; Gouda Hiroaki; Young David M; Kuntz Irwin D; England Pamela M
Photochemically knocking out glutamate receptors in vivo.
Journal of the American Chemical Society 2004;126(43):13886-7.
2004: Sullivan David C; Kuntz Irwin D
Distributions in protein conformation space: implications for structure prediction and entropy.
Biophysical journal 2004;87(1):113-20.
2004: Koshkin Aleksey; Zhou Xiao-ti; Kraus Carl N; Brenner Jason M; Bandyopadhyay Pradipta; Kuntz Irwin D; Barry Clifton E; Ortiz de Montellano Paul R
Inhibition of Mycobacterium tuberculosis AhpD, an element of the peroxiredoxin defense against oxidative stress.
Antimicrobial agents and chemotherapy 2004;48(7):2424-30.
2004: Verras Andreas; Kuntz Irwin D; Ortiz de Montellano Paul R
Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes.
Journal of medicinal chemistry 2004;47(14):3572-9.
2004: Rizzo Robert C; Toba Samuel; Kuntz Irwin D
A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations.
Journal of medicinal chemistry 2004;47(12):3065-74.
2004: Kang Xinshan; Shafer Richard H; Kuntz Irwin D
Calculation of ligand-nucleic acid binding free energies with the generalized-born model in DOCK.
Biopolymers 2004;73(2):192-204.
2003: Masukawa Kevin M; Kollman Peter A; Kuntz Irwin D
Investigation of neuraminidase-substrate recognition using molecular dynamics and free energy calculations.
Journal of medicinal chemistry 2003;46(26):5628-37.
2003: Fujii Naoaki; Haresco Jose J; Novak Kathleen A P; Stokoe David; Kuntz Irwin D; Guy R Kiplin
A selective irreversible inhibitor targeting a PDZ protein interaction domain.
Journal of the American Chemical Society 2003;125(40):12074-5.
2003: Chong Lillian T; Bandyopadhyay Pradipta; Scanlan Thomas S; Kuntz Irwin D; Kollman Peter A
Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9.
Journal of computational chemistry 2003;24(12):1371-7.
2003: Sullivan David C; Aynechi Tiba; Voelz Vincent A; Kuntz Irwin D
Information content of molecular structures.
Biophysical journal 2003;85(1):174-90.
2003: Gouda Hiroaki; Kuntz Irwin D; Case David A; Kollman Peter A
Free energy calculations for theophylline binding to an RNA aptamer: Comparison of MM-PBSA and thermodynamic integration methods.
Biopolymers 2003;68(1):16-34.
2003: Kuntz Irwin D; Agard David A
Assessment of the role of computations in structural biology.
Advances in protein chemistry 2003;66():1-25.
2003: Krumrine J; Raubacher F; Brooijmans N; Kuntz I
Principles and methods of docking and ligand design.
Methods of biochemical analysis 2003;44():443-76.
2003: Brooijmans Natasja; Kuntz Irwin D
Molecular recognition and docking algorithms.
Annual review of biophysics and biomolecular structure 2003;32():335-73.
2002: Skillman A Geoffrey; Maurer Karl W; Roe Diana C; Stauber Margaret J; Eargle Dolan; Ewing Todd J A; Muscate Angelika; Davioud-Charvet Elisabeth; Medaglia Maxine V; Fisher Robert J; Arnold Edward; Gao Hong Qiang; Buckheit Robert; Boyer Paul L; Hughes Stephen H; Kuntz Irwin D; Kenyon George L
A novel mechanism for inhibition of HIV-1 reverse transcriptase.
Bioorganic chemistry 2002;30(6):443-58.
2002: Greenbaum Doron C; Arnold William D; Lu Felice; Hayrapetian Linda; Baruch Amos; Krumrine Jennifer; Toba Samuel; Chehade Kareem; Brömme Dieter; Kuntz Irwin D; Bogyo Matthew
Small molecule affinity fingerprinting. A tool for enzyme family subclassification, target identification, and inhibitor design.
Chemistry & biology 2002;9(10):1085-94.
2002: Brooijmans Natasja; Sharp Kim A; Kuntz Irwin D
Stability of macromolecular complexes.
Proteins 2002;48(4):645-53.
2002: Laboissière Martha C A; Young Malin M; Pinho Rilva G; Todd Stephen; Fletterick Robert J; Kuntz Irwin; Craik Charles S
Computer-assisted mutagenesis of ecotin to engineer its secondary binding site for urokinase inhibition.
The Journal of biological chemistry 2002;277(29):26623-31.
2002: Huo Shuanghong; Wang Junmei; Cieplak Piotr; Kollman Peter A; Kuntz Irwin D
Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design.
Journal of medicinal chemistry 2002;45(7):1412-9.
2001: Pegg S C; Haresco J J; Kuntz I D
A genetic algorithm for structure-based de novo design.
Journal of computer-aided molecular design 2001;15(10):911-33.
2001: Kuntz I D; Case D A
Peter Andrew Kollman.
Proteins 2001;45(1):2-3.
2001: Aronov A M; Munagala N R; Kuntz I D; Wang C C
Virtual screening of combinatorial libraries across a gene family: in search of inhibitors of Giardia lamblia guanine phosphoribosyltransferase.
Antimicrobial agents and chemotherapy 2001;45(9):2571-6.
2001: Harris J L; Niles A; Burdick K; Maffitt M; Backes B J; Ellman J A; Kuntz I; Haak-Frendscho M; Craik C S
Definition of the extended substrate specificity determinants for beta-tryptases I and II.
The Journal of biological chemistry 2001;276(37):34941-7.
2001: Bressi J C; Verlinde C L; Aronov A M; Shaw M L; Shin S S; Nguyen L N; Suresh S; Buckner F S; Van Voorhis W C; Kuntz I D; Hol W G; Gelb M H
Adenosine analogues as selective inhibitors of glyceraldehyde-3-phosphate dehydrogenase of Trypanosomatidae via structure-based drug design.
Journal of medicinal chemistry 2001;44(13):2080-93.
2001: Ewing T J; Makino S; Skillman A G; Kuntz I D
DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases.
Journal of computer-aided molecular design 2001;15(5):411-28.
2001: Sullivan D C; Kuntz I D
Conformation spaces of proteins.
Proteins 2001;42(4):495-511.
2001: Lamb M L; Burdick K W; Toba S; Young M M; Skillman A G; Zou X; Arnold J R; Kuntz I D
Design, docking, and evaluation of multiple libraries against multiple targets.
Proteins 2001;42(3):296-318.
2000: Siani M A; Skillman A G; Carreras C W; Ashley G; Kuntz I D; Santi D V
Development and screening of a polyketide virtual library for drug leads against a motilide pharmacophore.
Journal of molecular graphics & modelling 2000;18(4-5):497-511, 539-40.
2000: Young M M; Tang N; Hempel J C; Oshiro C M; Taylor E W; Kuntz I D; Gibson B W; Dollinger G
High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry.
Proceedings of the National Academy of Sciences of the United States of America 2000;97(11):5802-6.
2000: Aronov A M; Munagala N R; Ortiz De Montellano P R; Kuntz I D; Wang C C
Rational design of selective submicromolar inhibitors of Tritrichomonas foetus hypoxanthine-guanine-xanthine phosphoribosyltransferase.
Biochemistry 2000;39(16):4684-91.
2000: Bi X; Haque T S; Zhou J; Skillman A G; Lin B; Lee C E; Kuntz I D; Ellman J A; Lynch G
Novel cathepsin D inhibitors block the formation of hyperphosphorylated tau fragments in hippocampus.
Journal of neurochemistry 2000;74(4):1469-77.
2000: Hopkins S C; Vale R D; Kuntz I D
Inhibitors of kinesin activity from structure-based computer screening.
Biochemistry 2000;39(10):2805-14.
1999: Makino S; Ewing T J; Kuntz I D
DREAM++: flexible docking program for virtual combinatorial libraries.
Journal of computer-aided molecular design 1999;13(5):513-32.
1999: Kuntz I D; Chen K; Sharp K A; Kollman P A
The maximal affinity of ligands.
Proceedings of the National Academy of Sciences of the United States of America 1999;96(18):9997-10002.
1999: Wang J; Kollman P A; Kuntz I D
Flexible ligand docking: a multistep strategy approach.
Proteins 1999;36(1):1-19.
1999: Hendrix D K; Klein T E; Kuntz I D;
Macromolecular docking of a three-body system: the recognition of human growth hormone by its receptor.
Protein science : a publication of the Protein Society 1999;8(5):1010-22.
1999: Haque T S; Skillman A G; Lee C E; Habashita H; Gluzman I Y; Ewing T J; Goldberg D E; Kuntz I D; Ellman J A
Potent, low-molecular-weight non-peptide inhibitors of malarial aspartyl protease plasmepsin II.
Journal of medicinal chemistry 1999;42(8):1428-40.
1999: Young M M; Skillman A G; Kuntz I D
A rapid method for exploring the protein structure universe.
Proteins 1999;34(3):317-32.
1999: Stout T J; Tondi D; Rinaldi M; Barlocco D; Pecorari P; Santi D V; Kuntz I D; Stroud R M; Shoichet B K; Costi M P
Structure-based design of inhibitors specific for bacterial thymidylate synthase.
Biochemistry 1999;38(5):1607-17.
1999: Shoichet B K; Leach A R; Kuntz I D
Ligand solvation in molecular docking.
Proteins 1999;34(1):4-16.
1998: Sun Y; Ewing T J; Skillman A G; Kuntz I D
CombiDOCK: structure-based combinatorial docking and library design.
Journal of computer-aided molecular design 1998;12(6):597-604.
1998: Somoza J R; Skillman A G; Munagala N R; Oshiro C M; Knegtel R M; Mpoke S; Fletterick R J; Kuntz I D; Wang C C
Rational design of novel antimicrobials: blocking purine salvage in a parasitic protozoan.
Biochemistry 1998;37(16):5344-8.
1998: Oshiro C M; Kuntz I D
Characterization of receptors with a new negative image: use in molecular docking and lead optimization.
Proteins 1998;30(3):321-36.
1998: Hendrix D K; Kuntz I D
Surface solid angle-based site points for molecular docking.
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing 1998;():317-26.
1997: Caldera P S; Yu Z; Knegtel R M; McPhee F; Burlingame A L; Craik C S; Kuntz I D; Ortiz de Montellano P R
Alkylation of a catalytic aspartate group of the SIV protease by an epoxide inhibitor.
Bioorganic & medicinal chemistry 1997;5(11):2019-27.
1997: Selzer P M; Chen X; Chan V J; Cheng M; Kenyon G L; Kuntz I D; Sakanari J A; Cohen F E; McKerrow J H
Leishmania major: molecular modeling of cysteine proteases and prediction of new nonpeptide inhibitors.
Experimental parasitology 1997;87(3):212-21.
1997: Hoffman L R; Kuntz I D; White J M
Structure-based identification of an inducer of the low-pH conformational change in the influenza virus hemagglutinin: irreversible inhibition of infectivity.
Journal of virology 1997;71(11):8808-20.
1997: Chen Q; Shafer R H; Kuntz I D
Structure-based discovery of ligands targeted to the RNA double helix.
Biochemistry 1997;36(38):11402-7.
1997: Gschwend D A; Sirawaraporn W; Santi D V; Kuntz I D
Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase.
Proteins 1997;29(1):59-67.
1997: Kick E K; Roe D C; Skillman A G; Liu G; Ewing T J; Sun Y; Kuntz I D; Ellman J A
Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D.
Chemistry & biology 1997;4(4):297-307.
1997: Knegtel R M; Kuntz I D; Oshiro C M
Molecular docking to ensembles of protein structures.
Journal of molecular biology 1997;266(2):424-40.
1996: McPhee F; Caldera P S; Bemis G W; McDonagh A F; Kuntz I D; Craik C S
Bile pigments as HIV-1 protease inhibitors and their effects on HIV-1 viral maturation and infectivity in vitro.
The Biochemical journal 1996;320 ( Pt 2)():681-6.
1996: McPhee F; Good A C; Kuntz I D; Craik C S
Engineering human immunodeficiency virus 1 protease heterodimers as macromolecular inhibitors of viral maturation.
Proceedings of the National Academy of Sciences of the United States of America 1996;93(21):11477-81.
1996: Li R; Chen X; Gong B; Selzer P M; Li Z; Davidson E; Kurzban G; Miller R E; Nuzum E O; McKerrow J H; Fletterick R J; Gillmor S A; Craik C S; Kuntz I D; Cohen F E; Kenyon G L
Structure-based design of parasitic protease inhibitors.
Bioorganic & medicinal chemistry 1996;4(9):1421-7.
1996: Briem H; Kuntz I D
Molecular similarity based on DOCK-generated fingerprints.
Journal of medicinal chemistry 1996;39(17):3401-8.
1996: Gschwend D A; Kuntz I D
Orientational sampling and rigid-body minimization in molecular docking revisited: on-the-fly optimization and degeneracy removal.
Journal of computer-aided molecular design 1996;10(2):123-32.
1996: Chen Q; Kuntz I D; Shafer R H
Spectroscopic recognition of guanine dimeric hairpin quadruplexes by a carbocyanine dye.
Proceedings of the National Academy of Sciences of the United States of America 1996;93(7):2635-9.
1996: Guiles R D; Sarma S; DiGate R J; Banville D; Basus V J; Kuntz I D; Waskell L
Pseudocontact shifts used in the restraint of the solution structures of electron transfer complexes.
Nature structural biology 1996;3(4):333-9.
1996: Gschwend D A; Good A C; Kuntz I D
Molecular docking towards drug discovery.
Journal of molecular recognition : JMR 1996;9(2):175-86.
1996: Shoichet B K; Kuntz I D
Predicting the structure of protein complexes: a step in the right direction.
Chemistry & biology 1996;3(3):151-6.
1996: Strynadka N C; Eisenstein M; Katchalski-Katzir E; Shoichet B K; Kuntz I D; Abagyan R; Totrov M; Janin J; Cherfils J; Zimmerman F; Olson A; Duncan B; Rao M; Jackson R; Sternberg M; James M N
Molecular docking programs successfully predict the binding of a beta-lactamase inhibitory protein to TEM-1 beta-lactamase.
Nature structural biology 1996;3(3):233-9.
1996: Cerpa R; Cohen F E; Kuntz I D
Conformational switching in designed peptides: the helix/sheet transition.
Folding & design 1996;1(2):91-101.
1995: Benjamin D R; Markby D W; Bourne H R; Kuntz I D
Solution structure of the GTPase activating domain of alpha s.
Journal of molecular biology 1995;254(4):681-91.
1995: Chapman B S; Kuntz I D
Modeled structure of the 75-kDa neurotrophin receptor.
Protein science : a publication of the Protein Society 1995;4(9):1696-707.
1995: Good A C; Kuntz I D
Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors.
Journal of computer-aided molecular design 1995;9(4):373-9.
1995: Roe D C; Kuntz I D
BUILDER v.2: improving the chemistry of a de novo design strategy.
Journal of computer-aided molecular design 1995;9(3):269-82.
1995: Oshiro C M; Kuntz I D; Dixon J S
Flexible ligand docking using a genetic algorithm.
Journal of computer-aided molecular design 1995;9(2):113-30.
1995: Good A C; Ewing T J; Gschwend D A; Kuntz I D
New molecular shape descriptors: application in database screening.
Journal of computer-aided molecular design 1995;9(1):1-12.
1995: Benjamin D R; Markby D W; Bourne H R; Kuntz I D
Complete 1H, 13C, and 15N assignments and secondary structure of the GTPase activating domain of Gs.
Biochemistry 1995;34(1):155-62.
1994: Grootenhuis P D; Roe D C; Kollman P A; Kuntz I D
Finding potential DNA-binding compounds by using molecular shape.
Journal of computer-aided molecular design 1994;8(6):731-50.
1994: Yamamoto Y; Ishihara Y; Kuntz I D
Docking analysis of a series of benzylamino acetylcholinesterase inhibitors with a phthalimide, benzoyl, or indanone moiety.
Journal of medicinal chemistry 1994;37(19):3141-53.
1994: Meng E C; Kuntz I D; Abraham D J; Kellogg G E
Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities.
Journal of computer-aided molecular design 1994;8(3):299-306.
1993: Aroeti B; Kosen P A; Kuntz I D; Cohen F E; Mostov K E
Mutational and secondary structural analysis of the basolateral sorting signal of the polymeric immunoglobulin receptor.
The Journal of cell biology 1993;123(5):1149-60.
1993: Meng E C; Gschwend D A; Blaney J M; Kuntz I D
Orientational sampling and rigid-body minimization in molecular docking.
Proteins 1993;17(3):266-78.
1993: Shoichet B K; Kuntz I D
Matching chemistry and shape in molecular docking.
Protein engineering 1993;6(7):723-32.
1993: Guiles R D; Basus V J; Sarma S; Malpure S; Fox K M; Kuntz I D; Waskell L
Novel heteronuclear methods of assignment transfer from a diamagnetic to a paramagnetic protein: application to rat cytochrome b5.
Biochemistry 1993;32(32):8329-40.
1993: Rutenber E; Fauman E B; Keenan R J; Fong S; Furth P S; Ortiz de Montellano P R; Meng E; Kuntz I D; DeCamp D L; Salto R
Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
The Journal of biological chemistry 1993;268(21):15343-6.
1993: Ring C S; Sun E; McKerrow J H; Lee G K; Rosenthal P J; Kuntz I D; Cohen F E
Structure-based inhibitor design by using protein models for the development of antiparasitic agents.
Proceedings of the National Academy of Sciences of the United States of America 1993;90(8):3583-7.
1993: Bodian D L; Yamasaki R B; Buswell R L; Stearns J F; White J M; Kuntz I D
Inhibition of the fusion-inducing conformational change of influenza hemagglutinin by benzoquinones and hydroquinones.
Biochemistry 1993;32(12):2967-78.
1993: Shoichet B K; Stroud R M; Santi D V; Kuntz I D; Perry K M
Structure-based discovery of inhibitors of thymidylate synthase.
Science (New York, N.Y.) 1993;259(5100):1445-50.
1993: Oshiro C M; Kuntz I D
Application of distance geometry to the proton assignment problem.
Biopolymers 1993;33(1):107-15.
1992: Bemis G W; Kuntz I D
A fast and efficient method for 2D and 3D molecular shape description.
Journal of computer-aided molecular design 1992;6(6):607-28.
1992: Guiles R D; Basus V J; Kuntz I D; Waskell L
Sequence-specific 1H and 15N resonance assignments for both equilibrium forms of the soluble heme binding domain of rat ferrocytochrome b5.
Biochemistry 1992;31(46):11365-75.
1992: Kuntz I D
Structure-based strategies for drug design and discovery.
Science (New York, N.Y.) 1992;257(5073):1078-82.
1992: Lewis R A; Roe D C; Huang C; Ferrin T E; Langridge R; Kuntz I D
Automated site-directed drug design using molecular lattices.
Journal of molecular graphics 1992;10(2):66-78, 106.
1992: Kosen P A; Marks C B; Falick A M; Anderson S; Kuntz I D
Disulfide bond-coupled folding of bovine pancreatic trypsin inhibitor derivatives missing one or two disulfide bonds.
Biochemistry 1992;31(25):5705-17.
1992: Hurle M R; Eads C D; Pearlman D A; Seibel G L; Thomason J; Kosen P A; Kollman P; Anderson S; Kuntz I D
Comparison of solution structures of mutant bovine pancreatic trypsin inhibitor proteins using two-dimensional nuclear magnetic resonance.
Protein science : a publication of the Protein Society 1992;1(1):91-106.
1991: Shoichet B K; Kuntz I D
Protein docking and complementarity.
Journal of molecular biology 1991;221(1):327-46.
1991: Daggett V; Kollman P A; Kuntz I D
A molecular dynamics simulation of polyalanine: an analysis of equilibrium motions and helix-coil transitions.
Biopolymers 1991;31(9):1115-34.
1991: Oshiro C M; Thomason J; Kuntz I D
Effects of limited input distance constraints upon the distance geometry algorithm.
Biopolymers 1991;31(9):1049-64.
1991: Altman J D; Henner D; Nilsson B; Anderson S; Kuntz I D
Intracellular expression of BPTI fusion proteins and single column cleavage/affinity purification by chymotrypsin.
Protein engineering 1991;4(5):593-600.
1991: Hurle M R; Anderson S; Kuntz I D
Confirmation of the predicted source of a slow folding reaction: proline 8 of bovine pancreatic trypsin inhibitor.
Protein engineering 1991;4(4):451-5.
1991: Daggett V; Kollman P A; Kuntz I D
Molecular dynamics simulations of small peptides: dependence on dielectric model and pH.
Biopolymers 1991;31(3):285-304.
1991: Nilsson B; Berman-Marks C; Kuntz I D; Anderson S
Secretion incompetence of bovine pancreatic trypsin inhibitor expressed in Escherichia coli.
The Journal of biological chemistry 1991;266(5):2970-7.
1991: DeCamp D L; Babé L M; Furth P; Ortiz de Montellano P; Kuntz I D; Craik C S
Structure-based inhibition of HIV-1 protease activity and viral infectivity.
Advances in experimental medicine and biology 1991;306():489-92.
1990: Bradley E K; Thomason J F; Cohen F E; Kosen P A; Kuntz I D
Studies of synthetic helical peptides using circular dichroism and nuclear magnetic resonance.
Journal of molecular biology 1990;215(4):607-22.
1990: Babbitt P C; West B L; Buechter D D; Kuntz I D; Kenyon G L
Removal of a proteolytic activity associated with aggregates formed from expression of creatine kinase in Escherichia coli leads to improved recovery of active enzyme.
Bio/technology (Nature Publishing Company) 1990;8(10):945-9.
1990: DesJarlais R L; Seibel G L; Kuntz I D; Furth P S; Alvarez J C; Ortiz de Montellano P R; DeCamp D L; Babé L M; Craik C S
Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease.
Proceedings of the National Academy of Sciences of the United States of America 1990;87(17):6644-8.
1990: Grootenhuis P D; Kollman P A; Seibel G L; DesJarlais R L; Kuntz I D
Computerized selection of potential DNA binding compounds.
Anti-cancer drug design 1990;5(3):237-42.
1990: Hurle M R; Marks C B; Kosen P A; Anderson S; Kuntz I D
Denaturant-dependent folding of bovine pancreatic trypsin inhibitor mutants with two intact disulfide bonds.
Biochemistry 1990;29(18):4410-9.
1990: Guiles R D; Altman J; Kuntz I D; Waskell L; Lipka J J
Structural studies of cytochrome b5: complete sequence-specific resonance assignments for the trypsin-solubilized microsomal ferrocytochrome b5 obtained from pig and calf.
Biochemistry 1990;29(5):1276-89.
1989: Altman J; Lipka J J; Kuntz I; Waskell L
Identification by proton nuclear magnetic resonance of the histidines in cytochrome b5 modified by diethyl pyrocarbonate.
Biochemistry 1989;28(19):7516-23.
1989: Cohen F E; Gregoret L; Presnell S R; Kuntz I D
Protein structure predictions: new theoretical approaches.
Progress in clinical and biological research 1989;289():75-85.
1989: Kuntz I D; Thomason J F; Oshiro C M
Distance geometry.
Methods in enzymology 1989;177():159-204.
1988: Milder S J; Bjorling S C; Kuntz I D; Kliger D S
Time-resolved circular dichroism and absorption studies of the photolysis reaction of (carbonmonoxy)myoglobin.
Biophysical journal 1988;53(5):659-64.
1988: Basus V J; Billeter M; Love R A; Stroud R M; Kuntz I D
Structural studies of alpha-bungarotoxin. 1. Sequence-specific 1H NMR resonance assignments.
Biochemistry 1988;27(8):2763-71.
1988: DesJarlais R L; Sheridan R P; Seibel G L; Dixon J S; Kuntz I D; Venkataraghavan R
Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure.
Journal of medicinal chemistry 1988;31(4):722-9.
1988: Tilton R F; Singh U C; Kuntz I D; Kollman P A
Protein-ligand dynamics. A 96 picosecond simulation of a myoglobin-xenon complex.
Journal of molecular biology 1988;199(1):195-211.
1988: Bashford D; Cohen F E; Karplus M; Kuntz I D; Weaver D L
Diffusion-collision model for the folding kinetics of myoglobin.
Proteins 1988;4(3):211-27.
1987: Billeter M; Havel T F; Kuntz I D
A new approach to the problem of docking two molecules: the ellipsoid algorithm.
Biopolymers 1987;26(6):777-93.
1987: Kuntz I D
Macromolecular structure in solution.
Protein engineering 1987;1(3):147-8.
1987: Marks C B; Naderi H; Kosen P A; Kuntz I D; Anderson S
Mutants of bovine pancreatic trypsin inhibitor lacking cysteines 14 and 38 can fold properly.
Science (New York, N.Y.) 1987;235(4794):1370-3.
1987: Frauenfelder H; Hartmann H; Karplus M; Kuntz I D; Kuriyan J; Parak F; Petsko G A; Ringe D; Tilton R F; Connolly M L
Thermal expansion of a protein.
Biochemistry 1987;26(1):254-61.
1987: Cohen F E; Kuntz I D
Prediction of the three-dimensional structure of human growth hormone.
Proteins 1987;2(2):162-6.
1987: Hurle M R; Matthews C R; Cohen F E; Kuntz I D; Toumadje A; Johnson W C
Prediction of the tertiary structure of the alpha-subunit of tryptophan synthase.
Proteins 1987;2(3):210-24.
1986: DesJarlais R L; Sheridan R P; Dixon J S; Kuntz I D; Venkataraghavan R
Docking flexible ligands to macromolecular receptors by molecular shape.
Journal of medicinal chemistry 1986;29(11):2149-53.
1986: Tilton R F; Singh U C; Weiner S J; Connolly M L; Kuntz I D; Kollman P A; Max N; Case D A
Computational studies of the interaction of myoglobin and xenon.
Journal of molecular biology 1986;192(2):443-56.
1986: Cohen F E; Kosen P A; Kuntz I D; Epstein L B; Ciardelli T L; Smith K A
Structure-activity studies of interleukin-2.
Science (New York, N.Y.) 1986;234(4774):349-52.
1986: Kosen P A; Scheek R M; Naderi H; Basus V J; Manogaran S; Schmidt P G; Oppenheimer N J; Kuntz I D
Two-dimensional 1H NMR of three spin-labeled derivatives of bovine pancreatic trypsin inhibitor.
Biochemistry 1986;25(9):2356-64.
1986: Argaraña C E; Kuntz I D; Birken S; Axel R; Cantor C R
Molecular cloning and nucleotide sequence of the streptavidin gene.
Nucleic acids research 1986;14(4):1871-82.
1986: Cohen F E; Abarbanel R M; Kuntz I D; Fletterick R J
Turn prediction in proteins using a pattern-matching approach.
Biochemistry 1986;25(1):266-75.
1985: Sheridan R P; Dixon J S; Venkataraghavan R; Kuntz I D; Scott K P
Amino acid composition and hydrophobicity patterns of protein domains correlate with their structures.
Biopolymers 1985;24(10):1995-2023.
1985: Gariépy J; Kay L E; Kuntz I D; Sykes B D; Hodges R S
Nuclear magnetic resonance determination of metal-proton distances in a synthetic calcium binding site of rabbit skeletal troponin C.
Biochemistry 1985;24(2):544-50.
1984: Rosevear P R; Sellin S; Mannervik B; Kuntz I D; Mildvan A S
NMR and computer modeling studies of the conformations of glutathione derivatives at the active site of glyoxalase I.
The Journal of biological chemistry 1984;259(18):11436-47.
1984: Schmidt P G; Kuntz I D
Distance measurements in spin-labeled lysozyme.
Biochemistry 1984;23(18):4261-6.
1984: Tilton R F; Kuntz I D; Petsko G A
Cavities in proteins: structure of a metmyoglobin-xenon complex solved to 1.9 A.
Biochemistry 1984;23(13):2849-57.
1984: Blanar M A; Kneller D; Clark A J; Karu A E; Cohen F E; Langridge R; Kuntz I D
A model for the core structure of the Escherichia coli RecA protein.
Cold Spring Harbor symposia on quantitative biology 1984;49():507-11.
1983: Havel T F; Kuntz I D; Crippen G M
The combinatorial distance geometry method for the calculation of molecular conformation. I. A new approach to an old problem.
Journal of theoretical biology 1983;104(3):359-81.
1983: Cohen F E; Abarbanel R M; Kuntz I D; Fletterick R J
Secondary structure assignment for alpha/beta proteins by a combinatorial approach.
Biochemistry 1983;22(21):4894-904.
1983: Havel T F; Crippen G M; Kuntz I D; Blaney J M
The combinatorial distance geometry method for the calculation of molecular conformation. II. Sample problems and computational statistics.
Journal of theoretical biology 1983;104(3):383-400.
1982: Tilton R F; Kuntz I D
Nuclear magnetic resonance studies of xenon-129 with myoglobin and hemoglobin.
Biochemistry 1982;21(26):6850-7.
1982: Kuntz I D; Blaney J M; Oatley S J; Langridge R; Ferrin T E
A geometric approach to macromolecule-ligand interactions.
Journal of molecular biology 1982;161(2):269-88.
1981: Langridge R; Ferrin T E; Kuntz I D; Connolly M L
Real-time color graphics in studies of molecular interactions.
Science (New York, N.Y.) 1981;211(4483):661-6.
1980: Kuntz I D; Crippen G M
A computer model for the 30S ribosome subunit.
Biophysical journal 1980;32(2):677-95.
1980: Cohen F E; Sternberg M J; Phillips D C; Kuntz I D; Kollman P A
A diffusion--collision--adhesion model for the kinetics of myoglobin refolding.
Nature 1980;286(5773):632-4.
1980: Connolly M L; Kuntz I D; Crippen G M
Linked and threaded loops in proteins.
Biopolymers 1980;19(6):1167-82.

Sign-in to see more

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

NetworkView

Irwin Kuntz

Research Profile (preview)

Concepts & Ideas

Chemicals & Drugs

Occupations

Activities & Behaviors

Phenomena

Genes & Molecular Sequences

Network (preview)

Publications

Sign in free and see...

Visualized networks:

GeoTargeted Searches:

Research Profiles:

Geonetwork of Irwin Kuntz (preview)

All Publications