Wang R - Search Results

1

Generation of Rational Drug-like Molecular Structures Through a Multiple-Objective Reinforcement Learning Framework.

Zhang X, Gao H, Qi Y, Li Y, Wang R. Zhang X, et al. Among authors: wang r. Molecules. 2024 Dec 24;30(1):18. doi: 10.3390/molecules30010018. Molecules. 2024. PMID: 39795076 Free PMC article.

2

Computation of octanol-water partition coefficients by guiding an additive model with knowledge.

Cheng T, Zhao Y, Li X, Lin F, Xu Y, Zhang X, Li Y, Wang R, Lai L. Cheng T, et al. Among authors: wang r. J Chem Inf Model. 2007 Nov-Dec;47(6):2140-8. doi: 10.1021/ci700257y. Epub 2007 Nov 7. J Chem Inf Model. 2007. PMID: 17985865

3

Comparative assessment of scoring functions on a diverse test set.

Cheng T, Li X, Li Y, Liu Z, Wang R. Cheng T, et al. Among authors: wang r. J Chem Inf Model. 2009 Apr;49(4):1079-93. doi: 10.1021/ci9000053. J Chem Inf Model. 2009. PMID: 19358517

4

Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1.

Li Y, Zhou B, Wang R. Li Y, et al. Among authors: wang r. J Mol Graph Model. 2009 Oct;28(3):203-19. doi: 10.1016/j.jmgm.2009.07.001. Epub 2009 Aug 4. J Mol Graph Model. 2009. PMID: 19656699

5

Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.

Li X, Li Y, Cheng T, Liu Z, Wang R. Li X, et al. Among authors: wang r. J Comput Chem. 2010 Aug;31(11):2109-25. doi: 10.1002/jcc.21498. J Comput Chem. 2010. PMID: 20127741

6

Test MM-PB/SA on true conformational ensembles of protein-ligand complexes.

Li Y, Liu Z, Wang R. Li Y, et al. Among authors: wang r. J Chem Inf Model. 2010 Sep 27;50(9):1682-92. doi: 10.1021/ci100036a. J Chem Inf Model. 2010. PMID: 20695488

7

Discovery and development of thiazolo[3,2-a]pyrimidinone derivatives as general inhibitors of Bcl-2 family proteins.

Zhou B, Li X, Li Y, Xu Y, Zhang Z, Zhou M, Zhang X, Liu Z, Zhou J, Cao C, Yu B, Wang R. Zhou B, et al. Among authors: wang r. ChemMedChem. 2011 May 2;6(5):904-21. doi: 10.1002/cmdc.201000484. Epub 2011 Feb 25. ChemMedChem. 2011. PMID: 21520420

8

Automatic tailoring and transplanting: a practical method that makes virtual screening more useful.

Li Y, Zhao Y, Liu Z, Wang R. Li Y, et al. Among authors: wang r. J Chem Inf Model. 2011 Jun 27;51(6):1474-91. doi: 10.1021/ci200036m. Epub 2011 May 13. J Chem Inf Model. 2011. PMID: 21520918

9

Synthesis and anti-tumor activities of N'-benzylidene-2-(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazone derivatives.

Lou J, Liu Z, Li Y, Zhou M, Zhang Z, Zheng S, Wang R, Li J. Lou J, et al. Among authors: wang r. Bioorg Med Chem Lett. 2011 Nov 15;21(22):6662-6. doi: 10.1016/j.bmcl.2011.09.061. Epub 2011 Sep 21. Bioorg Med Chem Lett. 2011. PMID: 21986587

10

Characterization of the stereochemical structures of 2H-thiazolo[3,2-a]pyrimidine compounds and their binding affinities for anti-apoptotic Bcl-2 family proteins.

Xu Y, Zhou M, Li Y, Li C, Zhang Z, Yu B, Wang R. Xu Y, et al. Among authors: wang r. ChemMedChem. 2013 Aug;8(8):1345-52. doi: 10.1002/cmdc.201300159. Epub 2013 Jun 21. ChemMedChem. 2013. PMID: 23794243

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