Sherman W - Search Results

1

Novel method for probing the specificity binding profile of ligands: applications to HIV protease.

Sherman W, Tidor B. Sherman W, et al. Chem Biol Drug Des. 2008 May;71(5):387-407. doi: 10.1111/j.1747-0285.2008.00659.x. Epub 2008 Mar 31. Chem Biol Drug Des. 2008. PMID: 18384529 Free PMC article.

2

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

3

Energetic analysis of fragment docking and application to structure-based pharmacophore hypothesis generation.

Loving K, Salam NK, Sherman W. Loving K, et al. Among authors: sherman w. J Comput Aided Mol Des. 2009 Aug;23(8):541-54. doi: 10.1007/s10822-009-9268-1. Epub 2009 May 7. J Comput Aided Mol Des. 2009. PMID: 19421721

4

Probing the alpha-helical structural stability of stapled p53 peptides: molecular dynamics simulations and analysis.

Guo Z, Mohanty U, Noehre J, Sawyer TK, Sherman W, Krilov G. Guo Z, et al. Among authors: sherman w. Chem Biol Drug Des. 2010 Apr;75(4):348-59. doi: 10.1111/j.1747-0285.2010.00951.x. Chem Biol Drug Des. 2010. PMID: 20331649

5

Rational approaches to improving selectivity in drug design.

Huggins DJ, Sherman W, Tidor B. Huggins DJ, et al. Among authors: sherman w. J Med Chem. 2012 Feb 23;55(4):1424-44. doi: 10.1021/jm2010332. Epub 2012 Jan 12. J Med Chem. 2012. PMID: 22239221 Free PMC article. Review. No abstract available.

6

Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clustering.

Osguthorpe DJ, Sherman W, Hagler AT. Osguthorpe DJ, et al. Among authors: sherman w. Chem Biol Drug Des. 2012 Aug;80(2):182-93. doi: 10.1111/j.1747-0285.2012.01396.x. Epub 2012 May 23. Chem Biol Drug Des. 2012. PMID: 22515569

7

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

8

Improving database enrichment through ensemble docking.

Rao S, Sanschagrin PC, Greenwood JR, Repasky MP, Sherman W, Farid R. Rao S, et al. Among authors: sherman w. 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

9

Novel method for generating structure-based pharmacophores using energetic analysis.

Salam NK, Nuti R, Sherman W. Salam NK, et al. Among authors: sherman w. J Chem Inf Model. 2009 Oct;49(10):2356-68. doi: 10.1021/ci900212v. J Chem Inf Model. 2009. PMID: 19761201

10

Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization.

Beuming T, Che Y, Abel R, Kim B, Shanmugasundaram V, Sherman W. Beuming T, et al. Among authors: sherman w. Proteins. 2012 Mar;80(3):871-83. doi: 10.1002/prot.23244. Epub 2011 Dec 16. Proteins. 2012. PMID: 22223256

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