Felts AK - Search Results

1

Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studies.

Felts AK, Labarge K, Bauman JD, Patel DV, Himmel DM, Arnold E, Parniak MA, Levy RM. Felts AK, et al. J Chem Inf Model. 2011 Aug 22;51(8):1986-98. doi: 10.1021/ci200194w. Epub 2011 Jul 26. J Chem Inf Model. 2011. PMID: 21714567 Free PMC article.

2

Comparative performance of several flexible docking programs and scoring functions: enrichment studies for a diverse set of pharmaceutically relevant targets.

Zhou Z, Felts AK, Friesner RA, Levy RM. Zhou Z, et al. Among authors: felts ak. J Chem Inf Model. 2007 Jul-Aug;47(4):1599-608. doi: 10.1021/ci7000346. Epub 2007 Jun 23. J Chem Inf Model. 2007. PMID: 17585856 Free PMC article.

3

On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy.

Levy RM, Zhang LY, Gallicchio E, Felts AK. Levy RM, et al. Among authors: felts ak. J Am Chem Soc. 2003 Aug 6;125(31):9523-30. doi: 10.1021/ja029833a. J Am Chem Soc. 2003. PMID: 12889983

4

Conformational landscape of the human immunodeficiency virus type 1 reverse transcriptase non-nucleoside inhibitor binding pocket: lessons for inhibitor design from a cluster analysis of many crystal structures.

Paris KA, Haq O, Felts AK, Das K, Arnold E, Levy RM. Paris KA, et al. Among authors: felts ak. J Med Chem. 2009 Oct 22;52(20):6413-20. doi: 10.1021/jm900854h. J Med Chem. 2009. PMID: 19827836 Free PMC article.

5

Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the Surface Generalized Born solvent model.

Felts AK, Gallicchio E, Wallqvist A, Levy RM. Felts AK, et al. Proteins. 2002 Aug 1;48(2):404-22. doi: 10.1002/prot.10171. Proteins. 2002. PMID: 12112706

6

Free energy surfaces of beta-hairpin and alpha-helical peptides generated by replica exchange molecular dynamics with the AGBNP implicit solvent model.

Felts AK, Harano Y, Gallicchio E, Levy RM. Felts AK, et al. Proteins. 2004 Aug 1;56(2):310-21. doi: 10.1002/prot.20104. Proteins. 2004. PMID: 15211514

7

Protein folding pathways from replica exchange simulations and a kinetic network model.

Andrec M, Felts AK, Gallicchio E, Levy RM. Andrec M, et al. Among authors: felts ak. Proc Natl Acad Sci U S A. 2005 May 10;102(19):6801-6. doi: 10.1073/pnas.0408970102. Epub 2005 Mar 30. Proc Natl Acad Sci U S A. 2005. PMID: 15800044 Free PMC article.

8

Temperature weighted histogram analysis method, replica exchange, and transition paths.

Gallicchio E, Andrec M, Felts AK, Levy RM. Gallicchio E, et al. Among authors: felts ak. J Phys Chem B. 2005 Apr 14;109(14):6722-31. doi: 10.1021/jp045294f. J Phys Chem B. 2005. PMID: 16851756

9

Distinguishing among structural ensembles of the GB1 peptide: REMD simulations and NMR experiments.

Weinstock DS, Narayanan C, Felts AK, Andrec M, Levy RM, Wu KP, Baum J. Weinstock DS, et al. Among authors: felts ak. J Am Chem Soc. 2007 Apr 25;129(16):4858-9. doi: 10.1021/ja0677517. Epub 2007 Apr 3. J Am Chem Soc. 2007. PMID: 17402734 Free PMC article. No abstract available.

10

Prediction of Protein Loop Conformations using the AGBNP Implicit Solvent Model and Torsion Angle Sampling.

Felts AK, Gallicchio E, Chekmarev D, Paris KA, Friesner RA, Levy RM. Felts AK, et al. J Chem Theory Comput. 2008;4(5):855-868. doi: 10.1021/ct800051k. J Chem Theory Comput. 2008. PMID: 18787648 Free PMC article.

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