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Improving database enrichment through ensemble docking.
Rao S, Sanschagrin PC, Greenwood JR, Repasky MP, Sherman W, Farid R. Rao S, et al. Among authors: greenwood jr. J Comput Aided Mol Des. 2008 Sep;22(9):621-7. doi: 10.1007/s10822-008-9182-y. Epub 2008 Feb 6. J Comput Aided Mol Des. 2008. PMID: 18253700
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.
Repasky MP, Murphy RB, Banks JL, Greenwood JR, Tubert-Brohman I, Bhat S, Friesner RA. Repasky MP, et al. Among authors: greenwood jr. J Comput Aided Mol Des. 2012 Jun;26(6):787-99. doi: 10.1007/s10822-012-9575-9. Epub 2012 May 11. J Comput Aided Mol Des. 2012. PMID: 22576241
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field.
Wang L, Wu Y, Deng Y, Kim B, Pierce L, Krilov G, Lupyan D, Robinson S, Dahlgren MK, Greenwood J, Romero DL, Masse C, Knight JL, Steinbrecher T, Beuming T, Damm W, Harder E, Sherman W, Brewer M, Wester R, Murcko M, Frye L, Farid R, Lin T, Mobley DL, Jorgensen WL, Berne BJ, Friesner RA, Abel R. Wang L, et al. J Am Chem Soc. 2015 Feb 25;137(7):2695-703. doi: 10.1021/ja512751q. Epub 2015 Feb 12. J Am Chem Soc. 2015. PMID: 25625324
113 results