Matthew P. Repasky, Ph.D.
Affiliations: | 2002 | Yale University, New Haven, CT |
Area:
computational chemistry and molecular designGoogle:
"Matthew Repasky"Mean distance: 8.16 | S | N | B | C | P |
Parents
Sign in to add mentor| William L. Jorgensen | grad student | 2002 | Yale | |
| (The development of improved semiempirical methods.) | ||||
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Publications
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| Murphy RB, Repasky MP, Greenwood JR, et al. (2016) WScore: A flexible and accurate treatment of explicit water molecules in ligand-receptor docking. Journal of Medicinal Chemistry |
| Repasky MP, Murphy RB, Banks JL, et al. (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. Journal of Computer-Aided Molecular Design. 26: 787-99 |
| Friesner RA, Murphy RB, Repasky MP, et al. (2006) Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. Journal of Medicinal Chemistry. 49: 6177-96 |
| Friesner RA, Banks JL, Murphy RB, et al. (2004) Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. Journal of Medicinal Chemistry. 47: 1739-49 |
| Tubert-Brohman I, Guimarães CR, Repasky MP, et al. (2004) Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens. Journal of Computational Chemistry. 25: 138-50 |
| Guimarães CR, Repasky MP, Chandrasekhar J, et al. (2003) Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase. Journal of the American Chemical Society. 125: 6892-9 |
| Repasky MP, Guimarães CR, Chandrasekhar J, et al. (2003) Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations. Journal of the American Chemical Society. 125: 6663-72 |
| Repasky MP, Chandrasekhar J, Jorgensen WL. (2002) PDDG/PM3 and PDDG/MNDO: improved semiempirical methods. Journal of Computational Chemistry. 23: 1601-22 |
| Repasky MP, Chandrasekhar J, Jorgensen WL. (2002) Improved semiempirical heats of formation through the use of bond and group equivalents. Journal of Computational Chemistry. 23: 498-510 |
| Wesolowski SS, Brinkmann NR, Valeev EF, et al. (2002) Three-versus four-coordinate phosphorus in the gas phase and in solution: Treacherous relative energies for phosphine oxide and phosphinous acid Journal of Chemical Physics. 116: 112-122 |