Abel R - Search Results

1

Comparison of multiple Amber force fields and development of improved protein backbone parameters.

Hornak V, Abel R, Okur A, Strockbine B, Roitberg A, Simmerling C. Hornak V, et al. Among authors: abel r. Proteins. 2006 Nov 15;65(3):712-25. doi: 10.1002/prot.21123. Proteins. 2006. PMID: 16981200 Free PMC article.

2

Dewetting transitions in protein cavities.

Young T, Hua L, Huang X, Abel R, Friesner R, Berne BJ. Young T, et al. Among authors: abel r. Proteins. 2010 Jun;78(8):1856-69. doi: 10.1002/prot.22699. Proteins. 2010. PMID: 20225258 Free PMC article.

3

The VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling.

Li J, Abel R, Zhu K, Cao Y, Zhao S, Friesner RA. Li J, et al. Among authors: abel r. Proteins. 2011 Oct;79(10):2794-812. doi: 10.1002/prot.23106. Epub 2011 Aug 22. Proteins. 2011. PMID: 21905107 Free PMC article.

4

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: abel r. Proteins. 2012 Mar;80(3):871-83. doi: 10.1002/prot.23244. Epub 2011 Dec 16. Proteins. 2012. PMID: 22223256

5

Contributions of water transfer energy to protein-ligand association and dissociation barriers: Watermap analysis of a series of p38α MAP kinase inhibitors.

Pearlstein RA, Sherman W, Abel R. Pearlstein RA, et al. Among authors: abel r. Proteins. 2013 Sep;81(9):1509-26. doi: 10.1002/prot.24276. Epub 2013 Jul 2. Proteins. 2013. PMID: 23468227

6

Protein side-chain dynamics and residual conformational entropy.

Trbovic N, Cho JH, Abel R, Friesner RA, Rance M, Palmer AG 3rd. Trbovic N, et al. Among authors: abel r. J Am Chem Soc. 2009 Jan 21;131(2):615-22. doi: 10.1021/ja806475k. J Am Chem Soc. 2009. PMID: 19105660 Free PMC article.

7

New hypotheses about the structure-function of proprotein convertase subtilisin/kexin type 9: analysis of the epidermal growth factor-like repeat A docking site using WaterMap.

Pearlstein RA, Hu QY, Zhou J, Yowe D, Levell J, Dale B, Kaushik VK, Daniels D, Hanrahan S, Sherman W, Abel R. Pearlstein RA, et al. Among authors: abel r. Proteins. 2010 Sep;78(12):2571-86. doi: 10.1002/prot.22767. Proteins. 2010. PMID: 20589640

8

OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.

Roos K, Wu C, Damm W, Reboul M, Stevenson JM, Lu C, Dahlgren MK, Mondal S, Chen W, Wang L, Abel R, Friesner RA, Harder ED. Roos K, et al. Among authors: abel r. J Chem Theory Comput. 2019 Mar 12;15(3):1863-1874. doi: 10.1021/acs.jctc.8b01026. Epub 2019 Mar 4. J Chem Theory Comput. 2019. PMID: 30768902

9

Computational methods for high resolution prediction and refinement of protein structures.

Friesner RA, Abel R, Goldfeld DA, Miller EB, Murrett CS. Friesner RA, et al. Among authors: abel r. Curr Opin Struct Biol. 2013 Apr;23(2):177-84. doi: 10.1016/j.sbi.2013.01.010. Epub 2013 May 18. Curr Opin Struct Biol. 2013. PMID: 23688933 Review.

10

How to deal with multiple binding poses in alchemical relative protein-ligand binding free energy calculations.

Kaus JW, Harder E, Lin T, Abel R, McCammon JA, Wang L. Kaus JW, et al. Among authors: abel r. J Chem Theory Comput. 2015 Jun 9;11(6):2670-9. doi: 10.1021/acs.jctc.5b00214. J Chem Theory Comput. 2015. PMID: 26085821 Free PMC article.

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