Abel R - Search Results

1

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.

2

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.

3

Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding.

Young T, Abel R, Kim B, Berne BJ, Friesner RA. Young T, et al. Among authors: abel r. Proc Natl Acad Sci U S A. 2007 Jan 16;104(3):808-13. doi: 10.1073/pnas.0610202104. Epub 2007 Jan 4. Proc Natl Acad Sci U S A. 2007. PMID: 17204562 Free PMC article.

4

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.

5

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.

6

Thermodynamic properties of liquid water: an application of a nonparametric approach to computing the entropy of a neat fluid.

Wang L, Abel R, Friesner RA, Berne BJ. Wang L, et al. Among authors: abel r. J Chem Theory Comput. 2009 Jun 9;5(6):1462-1473. doi: 10.1021/ct900078k. J Chem Theory Comput. 2009. PMID: 19851475 Free PMC article.

7

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.

8

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

9

A displaced-solvent functional analysis of model hydrophobic enclosures.

Abel R, Wang L, Friesner RA, Berne BJ. Abel R, et al. J Chem Theory Comput. 2010 Aug 20;6(9):2924-2934. doi: 10.1021/ct100215c. J Chem Theory Comput. 2010. PMID: 21135914 Free PMC article.

10

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

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

531 results

Search Page

Filters