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Journal Articles
- 2023
[j9]Yuqi Zhang
, Márton Vass, Da Shi, Esam Abualrous, Jennifer M. Chambers, Nikita Chopra, Christopher Higgs, Koushik Kasavajhala, Hubert Li, Prajwal Nandekar, Hideyuki Sato, Edward B. Miller, Matthew P. Repasky, Steven V. Jerome:
Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery. J. Chem. Inf. Model. 63(6): 1656-1667 (2023)- 2013
- [j8]Ivan Tubert-Brohman, Woody Sherman, Matthew P. Repasky, Thijs Beuming:
Improved Docking of Polypeptides with Glide. J. Chem. Inf. Model. 53(7): 1689-1699 (2013) - 2012
- [j7]Matthew P. Repasky, Robert B. Murphy, Jay L. Banks, Jeremy R. Greenwood, Ivan Tubert-Brohman, Sathesh Bhat, Richard A. Friesner:
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. J. Comput. Aided Mol. Des. 26(6): 787-799 (2012) - 2008
- [j6]Shashidhar N. Rao, Paul C. Sanschagrin, Jeremy R. Greenwood, Matthew P. Repasky, Woody Sherman, Ramy Farid:
Improving database enrichment through ensemble docking. J. Comput. Aided Mol. Des. 22(9): 621-627 (2008) - 2005
- [j5]Jay L. Banks, Hege S. Beard, Yixiang X. Cao, Art E. Cho, Wolfgang Damm, Ramy Farid, Anthony K. Felts, Thomas A. Halgren, Daniel T. Mainz, Jon R. Maple, Robert B. Murphy, Dean M. Philipp, Matthew P. Repasky, Linda Yu Zhang, Bruce J. Berne, Richard A. Friesner, Emilio Gallicchio, Ronald M. Levy:
Integrated Modeling Program, Applied Chemical Theory (IMPACT). J. Comput. Chem. 26(16): 1752-1780 (2005) - 2004
- [j4]Ricard Casadesús, Miquel Moreno, Àngels González-Lafont, José M. Lluch, Matthew P. Repasky:
Testing electronic structure methods for describing intermolecular H · · · H interactions in supramolecular chemistry. J. Comput. Chem. 25(1): 99-105 (2004) - [j3]Ivan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, Matthew P. Repasky, William L. Jorgensen:
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens. J. Comput. Chem. 25(1): 138-150 (2004) - 2002
- [j2]Matthew P. Repasky, Jayaraman Chandrasekhar, William L. Jorgensen:
Improved semiempirical heats of formation through the use of bond and group equivalents. J. Comput. Chem. 23(4): 498-510 (2002) - [j1]Matthew P. Repasky, Jayaraman Chandrasekhar, William L. Jorgensen:
PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods. J. Comput. Chem. 23(16): 1601-1622 (2002)
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