Farid RS - Search Results

1

Docking covalent inhibitors: a parameter free approach to pose prediction and scoring.

Zhu K, Borrelli KW, Greenwood JR, Day T, Abel R, Farid RS, Harder E. Zhu K, et al. Among authors: farid rs. J Chem Inf Model. 2014 Jul 28;54(7):1932-40. doi: 10.1021/ci500118s. Epub 2014 Jun 26. J Chem Inf Model. 2014. PMID: 24916536

2

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

3

Modeling the value of predictive affinity scoring in preclinical drug discovery.

Abel R, Manas ES, Friesner RA, Farid RS, Wang L. Abel R, et al. Among authors: farid rs. Curr Opin Struct Biol. 2018 Oct;52:103-110. doi: 10.1016/j.sbi.2018.09.002. Epub 2018 Oct 12. Curr Opin Struct Biol. 2018. PMID: 30321805 Review.

4

New insights about HERG blockade obtained from protein modeling, potential energy mapping, and docking studies.

Farid R, Day T, Friesner RA, Pearlstein RA. Farid R, et al. Bioorg Med Chem. 2006 May 1;14(9):3160-73. doi: 10.1016/j.bmc.2005.12.032. Epub 2006 Jan 18. Bioorg Med Chem. 2006. PMID: 16413785

5

Improving database enrichment through ensemble docking.

Rao S, Sanschagrin PC, Greenwood JR, Repasky MP, Sherman W, Farid R. Rao S, et al. 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

6

Role of the active-site solvent in the thermodynamics of factor Xa ligand binding.

Abel R, Young T, Farid R, Berne BJ, Friesner RA. Abel R, et al. J Am Chem Soc. 2008 Mar 5;130(9):2817-31. doi: 10.1021/ja0771033. Epub 2008 Feb 12. J Am Chem Soc. 2008. PMID: 18266362 Free PMC article.

7

WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand-Receptor Docking.

Murphy RB, Repasky MP, Greenwood JR, Tubert-Brohman I, Jerome S, Annabhimoju R, Boyles NA, Schmitz CD, Abel R, Farid R, Friesner RA. Murphy RB, et al. J Med Chem. 2016 May 12;59(9):4364-84. doi: 10.1021/acs.jmedchem.6b00131. Epub 2016 Apr 22. J Med Chem. 2016. PMID: 27054459

8

Novel procedure for modeling ligand/receptor induced fit effects.

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

9

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. ChemMedChem. 2011 Jun 6;6(6):1049-66. doi: 10.1002/cmdc.201000533. Epub 2011 Apr 19. ChemMedChem. 2011. PMID: 21506273

10

Use of an induced fit receptor structure in virtual screening.

Sherman W, Beard HS, Farid R. Sherman W, et al. Chem Biol Drug Des. 2006 Jan;67(1):83-4. doi: 10.1111/j.1747-0285.2005.00327.x. Chem Biol Drug Des. 2006. PMID: 16492153

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