Wang J - 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

An analysis of the interactions between the Sem-5 SH3 domain and its ligands using molecular dynamics, free energy calculations, and sequence analysis.

Wang W, Lim WA, Jakalian A, Wang J, Wang J, Luo R, Bayly CI, Kollman PA. Wang W, et al. Among authors: wang j. J Am Chem Soc. 2001 May 2;123(17):3986-94. doi: 10.1021/ja003164o. J Am Chem Soc. 2001. PMID: 11457149

3

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

4

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.

5

ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification.

Hou T, Wang J, Zhang W, Xu X. Hou T, et al. Among authors: wang j. J Chem Inf Model. 2007 Jan-Feb;47(1):208-18. doi: 10.1021/ci600343x. J Chem Inf Model. 2007. PMID: 17238266

6

ADME evaluation in drug discovery. 6. Can oral bioavailability in humans be effectively predicted by simple molecular property-based rules?

Hou T, Wang J, Zhang W, Xu X. Hou T, et al. Among authors: wang j. J Chem Inf Model. 2007 Mar-Apr;47(2):460-3. doi: 10.1021/ci6003515. J Chem Inf Model. 2007. PMID: 17381169

7

Fast approaches for molecular polarizability calculations.

Wang J, Xie XQ, Hou T, Xu X. Wang J, et al. J Phys Chem A. 2007 May 24;111(20):4443-8. doi: 10.1021/jp068423w. Epub 2007 Apr 27. J Phys Chem A. 2007. PMID: 17461556 Free article.

8

Development of reliable aqueous solubility models and their application in druglike analysis.

Wang J, Krudy G, Hou T, Zhang W, Holland G, Xu X. Wang J, et al. J Chem Inf Model. 2007 Jul-Aug;47(4):1395-404. doi: 10.1021/ci700096r. Epub 2007 Jun 15. J Chem Inf Model. 2007. PMID: 17569522

9

ADME evaluation in drug discovery. 8. The prediction of human intestinal absorption by a support vector machine.

Hou T, Wang J, Li Y. Hou T, et al. Among authors: wang j. J Chem Inf Model. 2007 Nov-Dec;47(6):2408-15. doi: 10.1021/ci7002076. Epub 2007 Oct 12. J Chem Inf Model. 2007. PMID: 17929911

10

Structure-ADME relationship: still a long way to go?

Hou T, Wang J. Hou T, et al. Among authors: wang j. Expert Opin Drug Metab Toxicol. 2008 Jun;4(6):759-70. doi: 10.1517/17425255.4.6.759. Expert Opin Drug Metab Toxicol. 2008. PMID: 18611116 Review.

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