Welsh WJ - Search Results

1

Using surrogate modeling in the prediction of fibrinogen adsorption onto polymer surfaces.

Smith JR, Knight D, Kohn J, Rasheed K, Weber N, Kholodovych V, Welsh WJ. Smith JR, et al. Among authors: welsh wj. J Chem Inf Comput Sci. 2004 May-Jun;44(3):1088-97. doi: 10.1021/ci0499774. J Chem Inf Comput Sci. 2004. PMID: 15154777

2

Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring.

Yoon S, Welsh WJ. Yoon S, et al. Among authors: welsh wj. J Chem Inf Comput Sci. 2004 Jan-Feb;44(1):88-96. doi: 10.1021/ci0341619. J Chem Inf Comput Sci. 2004. PMID: 14741014

3

Highly chlorinated PCBs inhibit the human xenobiotic response mediated by the steroid and xenobiotic receptor (SXR).

Tabb MM, Kholodovych V, Grün F, Zhou C, Welsh WJ, Blumberg B. Tabb MM, et al. Among authors: welsh wj. Environ Health Perspect. 2004 Feb;112(2):163-9. doi: 10.1289/ehp.6560. Environ Health Perspect. 2004. PMID: 14754570 Free PMC article.

4

Tumor-targeted bioconjugate based delivery of camptothecin: design, synthesis and in vitro evaluation.

Paranjpe PV, Chen Y, Kholodovych V, Welsh W, Stein S, Sinko PJ. Paranjpe PV, et al. J Control Release. 2004 Nov 24;100(2):275-92. doi: 10.1016/j.jconrel.2004.08.030. J Control Release. 2004. PMID: 15544875

5

3D-QSAR comparative molecular field analysis on opioid receptor antagonists: pooling data from different studies.

Peng Y, Keenan SM, Zhang Q, Kholodovych V, Welsh WJ. Peng Y, et al. Among authors: welsh wj. J Med Chem. 2005 Mar 10;48(5):1620-9. doi: 10.1021/jm049117e. J Med Chem. 2005. PMID: 15743203

6

Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogens.

Kovalishyn VV, Kholodovych V, Tetko IV, Welsh WJ. Kovalishyn VV, et al. Among authors: welsh wj. J Mol Graph Model. 2007 Sep;26(2):591-4. doi: 10.1016/j.jmgm.2007.03.005. Epub 2007 Mar 19. J Mol Graph Model. 2007. PMID: 17433745

7

A new approach to the rationale discovery of polymeric biomaterials.

Kohn J, Welsh WJ, Knight D. Kohn J, et al. Among authors: welsh wj. Biomaterials. 2007 Oct;28(29):4171-7. doi: 10.1016/j.biomaterials.2007.06.022. Epub 2007 Jul 20. Biomaterials. 2007. PMID: 17644176 Free PMC article. Review.

8

Shape signatures: new descriptors for predicting cardiotoxicity in silico.

Chekmarev DS, Kholodovych V, Balakin KV, Ivanenkov Y, Ekins S, Welsh WJ. Chekmarev DS, et al. Among authors: welsh wj. Chem Res Toxicol. 2008 Jun;21(6):1304-14. doi: 10.1021/tx800063r. Epub 2008 May 8. Chem Res Toxicol. 2008. PMID: 18461975 Free PMC article.

9

Computational discovery of novel low micromolar human pregnane X receptor antagonists.

Ekins S, Kholodovych V, Ai N, Sinz M, Gal J, Gera L, Welsh WJ, Bachmann K, Mani S. Ekins S, et al. Among authors: welsh wj. Mol Pharmacol. 2008 Sep;74(3):662-72. doi: 10.1124/mol.108.049437. Epub 2008 Jun 25. Mol Pharmacol. 2008. PMID: 18579710

10

Prediction of Fibrinogen Adsorption for Biodegradable Polymers: Integration of Molecular Dynamics and Surrogate Modeling.

Gubskaya AV, Kholodovych V, Knight D, Kohn J, Welsh WJ. Gubskaya AV, et al. Among authors: welsh wj. Polymer (Guildf). 2007 Sep 10;48(19):5788-5801. doi: 10.1016/j.polymer.2007.07.007. Polymer (Guildf). 2007. PMID: 19568328 Free PMC article.

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