Matt Repasky
Matt Repasky
Verifierad e-postadress på schrodinger.com
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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
RA Friesner, JL Banks, RB Murphy, TA Halgren, JJ Klicic, DT Mainz, ...
Journal of medicinal chemistry 47 (7), 1739-1749, 2004
58902004
Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein− ligand complexes
RA Friesner, RB Murphy, MP Repasky, LL Frye, JR Greenwood, ...
Journal of medicinal chemistry 49 (21), 6177-6196, 2006
35542006
Integrated modeling program, applied chemical theory (IMPACT)
JL Banks, HS Beard, Y Cao, AE Cho, W Damm, R Farid, AK Felts, ...
Journal of computational chemistry 26 (16), 1752-1780, 2005
9702005
Flexible ligand docking with Glide
MP Repasky, M Shelley, RA Friesner
Current protocols in bioinformatics 18 (1), 8.12. 1-8.12. 36, 2007
1102007
Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function …
MP Repasky, RB Murphy, JL Banks, JR Greenwood, I Tubert-Brohman, ...
Journal of computer-aided molecular design 26 (6), 787-799, 2012
982012
Improved docking of polypeptides with Glide
I Tubert-Brohman, W Sherman, M Repasky, T Beuming
Journal of chemical information and modeling 53 (7), 1689-1699, 2013
952013
Improving database enrichment through ensemble docking
S Rao, PC Sanschagrin, JR Greenwood, MP Repasky, W Sherman, ...
Journal of computer-aided molecular design 22 (9), 621-627, 2008
662008
WScore: a flexible and accurate treatment of explicit water molecules in ligand–receptor docking
RB Murphy, MP Repasky, JR Greenwood, I Tubert-Brohman, S Jerome, ...
Journal of medicinal chemistry 59 (9), 4364-4384, 2016
522016
AutoQSAR: an automated machine learning tool for best-practice quantitative structure–activity relationship modeling
SL Dixon, J Duan, E Smith, CD Von Bargen, W Sherman, MP Repasky
Future medicinal chemistry 8 (15), 1825-1839, 2016
392016
Docking and virtual screening strategies for GPCR drug discovery
T Beuming, B Lenselink, D Pala, F McRobb, M Repasky, W Sherman
G Protein-Coupled Receptors in Drug Discovery, 251-276, 2015
182015
Evaluation of docking and scoring accuracy using a new version of Schrodinger's Glide XP and Induced Fit Docking (IFD) methodologies
R Murphy, M Repasky, Z Zhou, R Abel, G Krilov, I Tubert-Brohman, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 241, 2011
72011
The Role of Bridging Water and Hydrogen Bonding as Key Determinants of Noncovalent Protein–Carbohydrate Recognition
AM Ruvinsky, I Aloni, D Cappel, C Higgs, K Marshall, P Rotkiewicz, ...
ChemMedChem 13 (24), 2684-2693, 2018
22018
Use of the Glide extra precision methodology for docking and scoring
RA Friesner, RB Murphy, MP Repasky, B Sherman
Abstracts of Papers of the American Chemical Society 232, 42-42, 2006
22006
GPGPU enhanced binding site similarity determination
M Repasky, V Babin, J Shelley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Challenges and opportunities for GPU-enabled shape screening of large scale, synthetically-tractable compound libraries
C Von Bargen, S Dixon, R Annabhimoju, M Repasky
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Improving reliability of ensemble docking through automated ensemble selection and protein reorganization energy estimation
O Pierce, S Jerome, M Repasky
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Robust ensemble docking with WScore
S Jerome, R Murphy, M Repasky, R Friesner
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Democratizing the creation and application of machine learning models with AutoQSAR
M Repasky, S Dixon, J Duan, C Von Bargen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016
Evaluation of the virtual screening performance and core-hopping potential of common pharmacophore hypotheses derived from phase's novel pharmacophore feature-based shape alignment
M Repasky, S Dixon, E Mack, W Duncan, C Von Bargen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016
New approach to identifying common pharmacophores using pharmacophore feature-based shape alignment
M Repasky, S Dixon
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015
2015
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Artiklar 1–20