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D

David A. Pearlman

rutgers university system

35H指数
68论文数
8.1K被引数
收录论文 18
发表时间
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Quantum simulations of SARS-CoV-2 main protease Mpro enable high-quality scoring of diverse ligands
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2021-07-30
err13
errOAAI
errWang, Yuhang; Murlidaran, Sruthi; Pearlman, David A.
err分享
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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-09-16
err229
errOAAI
errLee, Tai-Sung; Allen, Bryce K.; Giese, Timothy J.; Guo, Zhenyu; Li, Pengfei; Lin, Charles; McGee, T. Dwight, Jr.; Pearlman, David A.; Radak, Brian K.; Tao, Yujun; Tsai, Hsu-Chun; Xu, Huafeng; Sherman, Woody; York, Darrin M.
err分享
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Rigorous Free Energy Simulations in Virtual Screening
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-06-16
err127
errOAAI
errCournia, Zoe; Allen, Bryce K.; Beuming, Thijs; Pearlman, David A.; Radak, Brian K.; Sherman, Woody
err分享
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Physics-based enzyme design: Predicting binding affinity and catalytic activity
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2014-10-30
err45
PREAI
errSirin, Sarah; Pearlman, David A.; Sherman, Woody
err分享
err收藏
Antibody structure determination using a combination of homology modeling, energy-based refinement, and loop prediction
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2014-04-16
err188
errOAAI
errZhu, Kai; Day, Tyler; Warshaviak, Dora; Murrett, Colleen; Friesner, Richard; Pearlman, David
err分享
err收藏
FURSMASA: A new approach to rapid scoring functions that uses a MO-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental data
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2008-02-25
err9
PREAI
errPearlman, David A.; Rao, B. Govinda; Charifson, Paul
err分享
err收藏
Evaluating the molecular mechanics Poisson-Boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2005-11-05
err182
PREAI
errPearlman, DA
err分享
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EVALUATING THE ASSUMPTIONS UNDERLYING FORCE-FIELD DEVELOPMENT AND APPLICATION USING FREE-ENERGY CONFORMATIONAL MAPS FOR NUCLEOSIDES
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err30
PREAI
errPEARLMAN, DA; KOLLMAN, PA
err分享
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SIMULATION OF THE SOLVATION FREE-ENERGIES FOR METHANE, ETHANE, AND PROPANE AND CORRESPONDING AMINO-ACID DIPEPTIDES - A CRITICAL TEST OF THE BOND-PMF CORRECTION, A NEW SET OF HYDROCARBON PARAMETERS, AND THE GAS-PHASE WATER HYDROPHOBICITY SCALE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err133
PREAI
errSUN, YX; SPELLMEYER, D; PEARLMAN, DA; KOLLMAN, P
err分享
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Are free energy calculations useful in practice? A comparison with rapid scoring functions for the p38 MAP kinase protein system
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2001-09-13
err227
PREAI
errPearlman, DA; Charifson, PS
err分享
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Improved scoring of ligand-protein interactions using OWFEG free energy grids
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2001-02-08
err88
PREAI
errPearlman, DA; Charifson, PS
err分享
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Free energy grids: A practical qualitative application of free energy perturbation to ligand design using the OWFEG method
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err1999-10-01
err25
PREAI
errPearlman, DA
err分享
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Ionic charging free energies: Spherical versus periodic boundary conditions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err1998-12-22
err141
PREAI
errDarden, T; Pearlman, D; Pedersen, LG
err分享
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Benzene dimer: A good model for pi-pi interactions in proteins? A comparison between the benzene and the toluene dimers in the cas phase and in an aqueous solution
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err1996-11-13
err351
PREAI
errChipot, C; Jaffe, R; Maigret, B; Pearlman, DA; Kollman, PA
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Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err1996-07-15
err62
PREAI
errChipot, C; Kollman, PA; Pearlman, DA
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CONCERTS: Dynamic connection of fragments as an approach to de novo ligand design
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err1996-04-12
err94
PREAI
errPearlman, DA; Murcko, MA
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Molecular dynamics potential of mean force calculations: A study of the toluene-ammonium pi-cation interactions
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err1996-03-27
err98
PREAI
errChipot, C; Maigret, B; Pearlman, DA; Kollman, PA
err分享
err收藏
AMBER, A PACKAGE OF COMPUTER-PROGRAMS FOR APPLYING MOLECULAR MECHANICS, NORMAL-MODE ANALYSIS, MOLECULAR-DYNAMICS AND FREE-ENERGY CALCULATIONS TO SIMULATE THE STRUCTURAL AND ENERGETIC PROPERTIES OF MOLECULES
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err1995-09-01
err3.0K
PREAI
errPEARLMAN, DA; CASE, DA; CALDWELL, JW; ROSS, WS; CHEATHAM, TE; DEBOLT, S; FERGUSON, D; SEIBEL, G; KOLLMAN, P
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err收藏

研究方向

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合作学者
合作期刊
P
Peter A. Kollman
H 指数: 116 · 论文数: 705
D
David A. Case
H 指数: 107 · 论文数: 518
R
Richard A. Friesner
H 指数: 107 · 论文数: 486
T
Thomas E. Cheatham
H 指数: 68 · 论文数: 288
C
Christophe Chipot
H 指数: 62 · 论文数: 334
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