Tawa G - Search Results

1

Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software.

Peach ML, Zakharov AV, Liu R, Pugliese A, Tawa G, Wallqvist A, Nicklaus MC. Peach ML, et al. Among authors: tawa g. Future Med Chem. 2012 Oct;4(15):1907-32. doi: 10.4155/fmc.12.150. Future Med Chem. 2012. PMID: 23088273 Free PMC article.

2

2D SMARTCyp reactivity-based site of metabolism prediction for major drug-metabolizing cytochrome P450 enzymes.

Liu R, Liu J, Tawa G, Wallqvist A. Liu R, et al. Among authors: tawa g. J Chem Inf Model. 2012 Jun 25;52(6):1698-712. doi: 10.1021/ci3001524. Epub 2012 Jun 4. J Chem Inf Model. 2012. PMID: 22631565

3

Classification of scaffold-hopping approaches.

Sun H, Tawa G, Wallqvist A. Sun H, et al. Among authors: tawa g. Drug Discov Today. 2012 Apr;17(7-8):310-24. doi: 10.1016/j.drudis.2011.10.024. Epub 2011 Oct 26. Drug Discov Today. 2012. PMID: 22056715 Free PMC article. Review.

4

Locally weighted learning methods for predicting dose-dependent toxicity with application to the human maximum recommended daily dose.

Liu R, Tawa G, Wallqvist A. Liu R, et al. Among authors: tawa g. Chem Res Toxicol. 2012 Oct 15;25(10):2216-26. doi: 10.1021/tx300279f. Epub 2012 Sep 26. Chem Res Toxicol. 2012. PMID: 22963722

5

QSAR classification model for antibacterial compounds and its use in virtual screening.

Singh N, Chaudhury S, Liu R, AbdulHameed MD, Tawa G, Wallqvist A. Singh N, et al. Among authors: tawa g. J Chem Inf Model. 2012 Oct 22;52(10):2559-69. doi: 10.1021/ci300336v. Epub 2012 Oct 8. J Chem Inf Model. 2012. PMID: 23013546

6

Identifying cytochrome p450 functional networks and their allosteric regulatory elements.

Liu J, Tawa GJ, Wallqvist A. Liu J, et al. PLoS One. 2013 Dec 3;8(12):e81980. doi: 10.1371/journal.pone.0081980. eCollection 2013. PLoS One. 2013. PMID: 24312617 Free PMC article.

7

Exploiting large-scale drug-protein interaction information for computational drug repurposing.

Liu R, Singh N, Tawa GJ, Wallqvist A, Reifman J. Liu R, et al. BMC Bioinformatics. 2014 Jun 20;15:210. doi: 10.1186/1471-2105-15-210. BMC Bioinformatics. 2014. PMID: 24950817 Free PMC article.

8

Exploring polypharmacology using a ROCS-based target fishing approach.

AbdulHameed MD, Chaudhury S, Singh N, Sun H, Wallqvist A, Tawa GJ. AbdulHameed MD, et al. J Chem Inf Model. 2012 Feb 27;52(2):492-505. doi: 10.1021/ci2003544. Epub 2012 Jan 23. J Chem Inf Model. 2012. PMID: 22196353

9

Synthesis and evaluation of Strychnos alkaloids as MDR reversal agents for cancer cell eradication.

Munagala S, Sirasani G, Kokkonda P, Phadke M, Krynetskaia N, Lu P, Sharom FJ, Chaudhury S, Abdulhameed MD, Tawa G, Wallqvist A, Martinez R, Childers W, Abou-Gharbia M, Krynetskiy E, Andrade RB. Munagala S, et al. Among authors: tawa g. Bioorg Med Chem. 2014 Feb 1;22(3):1148-55. doi: 10.1016/j.bmc.2013.12.022. Epub 2013 Dec 21. Bioorg Med Chem. 2014. PMID: 24405813

10

A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space.

Singh N, Sun H, Chaudhury S, Abdulhameed MD, Wallqvist A, Tawa G. Singh N, et al. Among authors: tawa g. J Cheminform. 2012 Feb 8;4(1):4. doi: 10.1186/1758-2946-4-4. J Cheminform. 2012. PMID: 22316383 Free PMC article.

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