Wang W - Search Results

1

Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations.

Hou T, Wang J, Li Y, Wang W. Hou T, et al. Among authors: wang w, wang j. J Chem Inf Model. 2011 Jan 24;51(1):69-82. doi: 10.1021/ci100275a. Epub 2010 Nov 30. J Chem Inf Model. 2011. PMID: 21117705 Free PMC article.

2

Prediction of binding affinities between the human amphiphysin-1 SH3 domain and its peptide ligands using homology modeling, molecular dynamics and molecular field analysis.

Hou T, McLaughlin W, Lu B, Chen K, Wang W. Hou T, et al. Among authors: wang w. J Proteome Res. 2006 Jan;5(1):32-43. doi: 10.1021/pr0502267. J Proteome Res. 2006. PMID: 16396493

3

Computational analysis and prediction of the binding motif and protein interacting partners of the Abl SH3 domain.

Hou T, Chen K, McLaughlin WA, Lu B, Wang W. Hou T, et al. Among authors: wang w. PLoS Comput Biol. 2006 Jan;2(1):e1. doi: 10.1371/journal.pcbi.0020001. Epub 2006 Jan 27. PLoS Comput Biol. 2006. PMID: 16446784 Free PMC article.

4

Automatic atom type and bond type perception in molecular mechanical calculations.

Wang J, Wang W, Kollman PA, Case DA. Wang J, et al. Among authors: wang w. J Mol Graph Model. 2006 Oct;25(2):247-60. doi: 10.1016/j.jmgm.2005.12.005. Epub 2006 Feb 3. J Mol Graph Model. 2006. PMID: 16458552

5

Prediction of binding sites of peptide recognition domains: an application on Grb2 and SAP SH2 domains.

McLaughlin WA, Hou T, Wang W. McLaughlin WA, et al. Among authors: wang w. J Mol Biol. 2006 Apr 7;357(4):1322-34. doi: 10.1016/j.jmb.2006.01.005. Epub 2006 Jan 26. J Mol Biol. 2006. PMID: 16476443

6

Recent advances in computational prediction of drug absorption and permeability in drug discovery.

Hou T, Wang J, Zhang W, Wang W, Xu X. Hou T, et al. Among authors: wang w, wang j. Curr Med Chem. 2006;13(22):2653-67. doi: 10.2174/092986706778201558. Curr Med Chem. 2006. PMID: 17017917 Review.

7

On the detection of functionally coherent groups of protein domains with an extension to protein annotation.

McLaughlin WA, Chen K, Hou T, Wang W. McLaughlin WA, et al. Among authors: wang w. BMC Bioinformatics. 2007 Oct 16;8:390. doi: 10.1186/1471-2105-8-390. BMC Bioinformatics. 2007. PMID: 17937820 Free PMC article.

8

Evaluating the potency of HIV-1 protease drugs to combat resistance.

Hou T, McLaughlin WA, Wang W. Hou T, et al. Among authors: wang w. Proteins. 2008 May 15;71(3):1163-74. doi: 10.1002/prot.21808. Proteins. 2008. PMID: 18004760 Free PMC article.

9

Characterization of domain-peptide interaction interface: a case study on the amphiphysin-1 SH3 domain.

Hou T, Zhang W, Case DA, Wang W. Hou T, et al. Among authors: wang w. J Mol Biol. 2008 Feb 29;376(4):1201-14. doi: 10.1016/j.jmb.2007.12.054. Epub 2008 Jan 3. J Mol Biol. 2008. PMID: 18206907

10

Predicting drug resistance of the HIV-1 protease using molecular interaction energy components.

Hou T, Zhang W, Wang J, Wang W. Hou T, et al. Among authors: wang w, wang j. Proteins. 2009 Mar;74(4):837-46. doi: 10.1002/prot.22192. Proteins. 2009. PMID: 18704937 Free PMC article.

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