Matthew P. Repasky - Publications, H-index & Citations

Matthew P. Repasky

schrodinger, inc.

19H指数

27论文数

2.0W被引数

收录论文 17

发表时间

Epik: pKa and Protonation State Prediction through Machine Learning

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-04-06

PREAI

Johnston, Ryne C.; Yao, Kun; Kaplan, Zachary; Chelliah, Monica; Leswing, Karl; Seekins, Sean; Watts, Shawn; Calkins, David; Elk, Jackson Chief; Jerome, Steven, V; Repasky, Matthew P.; Shelley, John C.

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-03-10

PREAI

Zhang, Yuqi; Vass, Marton; Shi, Da; Abualrous, Esam; Chambers, Jennifer M.; Chopra, Nikita; Higgs, Christopher; Kasavajhala, Koushik; Li, Hubert; Nandekar, Prajwal; Sato, Hideyuki; Miller, Edward B.; Repasky, Matthew P.; Jerome, Steven, V

Efficient Exploration of Chemical Space with Docking and Deep Learning

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-09-30

158

PREAI

Yang, Ying; Yao, Kun; Repasky, Matthew P.; Leswing, Karl; Abel, Robert; Shoichet, Brian K.; Jerome, Steven, V

AutoQSAR: an automated machine learning tool for best-practice quantitative structure-activity relationship modeling

FUTURE MEDICINAL CHEMISTRY

IF3.4

2016-09-19

124

PREAI

Dixon, Steven L.; Duan, Jianxin; Smith, Ethan; Von Bargen, Christopher D.; Sherman, Woody; Repasky, Matthew P.

WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand-Receptor Docking

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2016-04-22

PREAI

Murphy, Robert B.; Repasky, Matthew P.; Greenwood, Jeremy R.; Tubert-Brohman, Ivan; Jerome, Steven; Annabhimoju, Ramakrishna; Boyles, Nicholas A.; Schmitz, Christopher D.; Abel, Robert; Farid, Ramy; Friesner, Richard A.

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 integrating WaterMap and glide

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2012-05-11

143

PREAI

Repasky, Matthew P.; Murphy, Robert B.; Banks, Jay L.; Greenwood, Jeremy R.; Tubert-Brohman, Ivan; Bhat, Sathesh; Friesner, Richard A.

Improving database enrichment through ensemble docking

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2008-02-06

PREAI

Rao, Shashidhar; Sanschagrin, Paul C.; Greenwood, Jeremy R.; Repasky, Matthew P.; Sherman, Woody; Farid, Ramy

Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes 额外的精度滑行: 结合蛋白质-配体复合物的疏水外壳模型进行对接和评分

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2006-09-23

5.6K

OAAI

Friesner, Richard A.; Murphy, Robert B.; Repasky, Matthew P.; Frye, Leah L.; Greenwood, Jeremy R.; Halgren, Thomas A.; Sanschagrin, Paul C.; Mainz, Daniel T.

Integrated modeling program, applied chemical theory (IMPACT)

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2005-10-06

1.3K

OAAI

Banks, JL; Beard, HS; Cao, YX; Cho, AE; Damm, W; Farid, R; Felts, AK; Halgren, TA; Mainz, DT; Maple, JR; Murphy, R; Philipp, DM; Repasky, MP; Zhang, LY; Berne, BJ; Friesner, RA; Gallicchio, E; Levy, RM

Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy Glide: 一种快速、准确对接和评分的新方法。1.对接精度的方法和评估

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2004-02-27

7.9K

PREAI

Friesner, RA; Banks, JL; Murphy, RB; Halgren, TA; Klicic, JJ; Mainz, DT; Repasky, MP; Knoll, EH; Shelley, M; Perry, JK; Shaw, DE; Francis, P; Shenkin, PS

Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2003-11-05

PREAI

Tubert-Brohman, I; Guimaraes, CRW; Repasky, MP; Jorgensen, WL

Testing electronic structure methods for describing intermolecular H ••• H interactions in supramolecular chemistry

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2003-11-05

PREAI

Casadesús, R; Moreno, M; González-Lafont, A; Lluch, JM; Repasky, MP