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科言猫学术研究的AI总结
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I

Irwin D. Kuntz

university of maryland baltimore county

82H指数
310论文数
2.9W被引数
收录论文 38
发表时间
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DOCK 6: Impact of New Features and Current Docking Performance
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-04-27
err594
errOAAI
errAllen, William J.; Balius, Trent E.; Mukherjee, Sudipto; Brozell, Scott R.; Moustakas, Demetri T.; Lang, P. Therese; Case, David A.; Kuntz, Irwin D.; Rizzo, Robert C.
err分享
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DOCK 6: Combining techniques to model RNA-small molecule complexesDOCK 6: 结合技术对RNA-小分子复合物进行建模
errRNA
IF5
err2009-04-15
err698
errOAAI
errLang, 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.
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The Collaboratory for MS3D: A New Cyberinfrastructure for the Structural Elucidation of Biological Macromolecules and Their Assemblies Using Mass Spectrometry-Based Approaches
errJOURNAL OF PROTEOME RESEARCH
IF3.6
err2008-09-26
err29
errOAAI
errYu, Eizadora T.; Hawkins, Arie; Kuntz, Irwin D.; Rahn, Larry A.; Rothfuss, Andrew; Sale, Kenneth; Young, Malin M.; Yang, Christine L.; Pancerella, Carmen M.; Fabris, Daniele
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Computational Investigation of Kinetics of Cross-linking Reactions in Proteins: Importance in Structure Prediction
errBIOPOLYMERS
IF3.2
err2008-09-09
err2
PREAI
errBandyopadhay, Pradipta; Kuntz, Irwin D.
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Partial acetylation of lysine residues improves intraprotein cross-linking
errANALYTICAL CHEMISTRY
IF6.7
err2008-01-18
err41
PREAI
errGuo, Xin; Bandyopadhyay, Pradipta; Schilling, Birgit; Young, Malin M.; Fujii, Naoaki; Aynechi, Tiba; Guy, R. Kiplin; Kuntz, Irwin D.; Gibson, Bradford W.
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Development and validation of a modular, extensible docking program: DOCK 5开发和验证模块化、可扩展的对接程序: DOCK 5
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2006-12-06
err406
PREAI
errMoustakas, Demetri T.; Lang, P. Therese; Pegg, Scott; Pettersen, Eric; Kuntz, Irwin D.; Brooijmans, Natasja; Rizzo, Robert C.
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Apolipoprotein (apo) E4 enhances amyloid β peptide production in cultured neuronal cells:: ApoE structure as a potential therapeutic target
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2005-12-12
err269
errOAAI
errYe, SM; Huang, YD; Müllendorff, K; Dong, LM; Giedt, G; Meng, EC; Cohen, FE; Kuntz, ID; Weisgraber, KH; Mahley, RW
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Estimation of absolute free energies of hydration using continuum methods: Accuracy of partial, charge models and optimization of nonpolar contributions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2005-11-15
err168
PREAI
errRizzo, RC; Aynechi, T; Case, DA; Kuntz, ID
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Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2005-02-19
err69
PREAI
errWang, JM; Kang, XS; Kuntz, ID; Kollman, PA
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Photochemically knocking out glutamate receptors in vivo
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2004-10-09
err34
PREAI
errChambers, JJ; Gouda, H; Young, DM; Kuntz, ID; England, PM
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Inhibition of Mycobacterium tuberculosis AhpD, an element of the peroxiredoxin defense against oxidative stress
errANTIMICROBIAL AGENTS AND CHEMOTHERAPY
IF4.5
err2004-07-01
err22
errOAAI
errKoshkin, A; Zhou, XT; Kraus, CN; Brenner, JM; Bandyopadhyay, P; Kuntz, ID; Barry, CE; de Montellano, PRO
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Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2004-05-29
err48
PREAI
errVerras, A; Kuntz, ID; de Montellano, PRO
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A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2004-04-28
err77
PREAI
errRizzo, RC; Toba, S; Kuntz, ID
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A selective irreversible inhibitor targeting a PDZ protein interaction domain
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2003-09-11
err74
PREAI
errFujii, N; Haresco, JJ; Novak, KAP; Stokoe, D; Kuntz, ID; Guy, RK
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Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2003-07-07
err13
PREAI
errChong, LT; Bandyopadhyay, P; Scanlan, TS; Kuntz, ID; Kollman, PA
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Information content of molecular structures
errBIOPHYSICAL JOURNAL
IF3.1
err2003-07-01
err19
errOAAI
errSullivan, DC; Aynechi, T; Voelz, VA; Kuntz, ID
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Free energy calculations for theophylline binding to an RNA aptamer: MM-PBSA and comparison of thermodynamic integration methods
errBIOPOLYMERS
IF3.2
err2002-11-25
err210
PREAI
errGouda, H; Kuntz, ID; Case, DA; Kollman, PA
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Stability of macromolecular complexes
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2002-07-12
err77
PREAI
errBrooijmans, N; Sharp, KA; Kuntz, ID
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Computer-assisted mutagenesis of ecotin to engineer its secondary binding site for urokinase inhibition.
errJOURNAL OF BIOLOGICAL CHEMISTRY
IF3.9
err2002-07-01
err23
errOAAI
errLaboissière, MCA; Young, MM; Pinho, RG; Todd, S; Fletterick, RJ; Kuntz, I; Craik, CS
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A NEW TECHNIQUE TO CALCULATE LOW-ENERGY CONFORMATIONS OF CYCLIC MOLECULES UTILIZING THE ELLIPSOID ALGORITHM AND MOLECULAR-DYNAMICS - APPLICATION TO 18-CROWN-6
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err90
PREAI
errBILLETER, M; HOWARD, AE; KUNTZ, ID; KOLLMAN, PA
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研究方向

暂无研究方向
合作学者
合作期刊
R
Robert W. Mahley
H 指数: 128 · 论文数: 380
A
Alma L. Burlingame
H 指数: 117 · 论文数: 730
P
Peter A. Kollman
H 指数: 116 · 论文数: 705
B
Brian K. Shoichet
H 指数: 114 · 论文数: 416
C
Clifton E. Barry
H 指数: 113 · 论文数: 448
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