Friesner RA - Search Results

1

ConfGen: a conformational search method for efficient generation of bioactive conformers.

Watts KS, Dalal P, Murphy RB, Sherman W, Friesner RA, Shelley JC. Watts KS, et al. Among authors: friesner ra. J Chem Inf Model. 2010 Apr 26;50(4):534-46. doi: 10.1021/ci100015j. J Chem Inf Model. 2010. PMID: 20373803

2

Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase tests.

Kaminski GA, Stern HA, Berne BJ, Friesner RA, Cao YX, Murphy RB, Zhou R, Halgren TA. Kaminski GA, et al. Among authors: friesner ra. J Comput Chem. 2002 Dec;23(16):1515-31. doi: 10.1002/jcc.10125. J Comput Chem. 2002. PMID: 12395421 Free PMC article.

3

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.

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. Friesner RA, et al. J Med Chem. 2004 Mar 25;47(7):1739-49. doi: 10.1021/jm0306430. J Med Chem. 2004. PMID: 15027865

4

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening.

Halgren TA, Murphy RB, Friesner RA, Beard HS, Frye LL, Pollard WT, Banks JL. Halgren TA, et al. Among authors: friesner ra. J Med Chem. 2004 Mar 25;47(7):1750-9. doi: 10.1021/jm030644s. J Med Chem. 2004. PMID: 15027866

5

Novel procedure for modeling ligand/receptor induced fit effects.

Sherman W, Day T, Jacobson MP, Friesner RA, Farid R. Sherman W, et al. Among authors: friesner ra. J Med Chem. 2006 Jan 26;49(2):534-53. doi: 10.1021/jm050540c. J Med Chem. 2006. PMID: 16420040

6

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes.

Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, Halgren TA, Sanschagrin PC, Mainz DT. Friesner RA, et al. J Med Chem. 2006 Oct 19;49(21):6177-96. doi: 10.1021/jm051256o. J Med Chem. 2006. PMID: 17034125

7

Contribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serine proteases.

Abel R, Salam NK, Shelley J, Farid R, Friesner RA, Sherman W. Abel R, et al. Among authors: friesner ra. ChemMedChem. 2011 Jun 6;6(6):1049-66. doi: 10.1002/cmdc.201000533. Epub 2011 Apr 19. ChemMedChem. 2011. PMID: 21506273

8

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: friesner ra. 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

9

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. Among authors: friesner ra. 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

10

Accurate Binding Free Energy Predictions in Fragment Optimization.

Steinbrecher TB, Dahlgren M, Cappel D, Lin T, Wang L, Krilov G, Abel R, Friesner R, Sherman W. Steinbrecher TB, et al. J Chem Inf Model. 2015 Nov 23;55(11):2411-20. doi: 10.1021/acs.jcim.5b00538. Epub 2015 Oct 21. J Chem Inf Model. 2015. PMID: 26457994

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