Matthew P. Repasky

According to our database, Matthew P. Repasky authored at least 9 papers between 2002 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery.

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

J. Chem. Inf. Model., March, 2023

2013

Improved Docking of Polypeptides with Glide.

Ivan Tubert-Brohman, Woody Sherman, Matthew P. Repasky, Thijs Beuming

J. Chem. Inf. Model., 2013

2012

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.

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

J. Comput. Aided Mol. Des., 2012

2008

Improving database enrichment through ensemble docking.

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

J. Comput. Aided Mol. Des., 2008

2005

Integrated Modeling Program, Applied Chemical Theory (IMPACT).

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

J. Comput. Chem., 2005

2004

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

Ivan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, Matthew P. Repasky, William L. Jorgensen

J. Comput. Chem., 2004

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

Ricard Casadesús, Miquel Moreno, Àngels González-Lafont, José M. Lluch, Matthew P. Repasky

J. Comput. Chem., 2004

2002

PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods.

Matthew P. Repasky, Jayaraman Chandrasekhar, William L. Jorgensen

J. Comput. Chem., 2002

Improved semiempirical heats of formation through the use of bond and group equivalents.

Matthew P. Repasky, Jayaraman Chandrasekhar, William L. Jorgensen

J. Comput. Chem., 2002