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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
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. Among authors: tawa gj. BMC Bioinformatics. 2014 Jun 20;15:210. doi: 10.1186/1471-2105-15-210. BMC Bioinformatics. 2014. PMID: 24950817 Free PMC article.
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. Among authors: tawa gj. 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
Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction.
Chaudhury S, Abdulhameed MD, Singh N, Tawa GJ, D'haeseleer PM, Zemla AT, Navid A, Zhou CE, Franklin MC, Cheung J, Rudolph MJ, Love J, Graf JF, Rozak DA, Dankmeyer JL, Amemiya K, Daefler S, Wallqvist A. Chaudhury S, et al. Among authors: tawa gj. PLoS One. 2013 May 21;8(5):e63369. doi: 10.1371/journal.pone.0063369. Print 2013. PLoS One. 2013. PMID: 23704901 Free PMC article.
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.
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.
Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors.
Capuzzi SJ, Sun W, Muratov EN, Martínez-Romero C, He S, Zhu W, Li H, Tawa G, Fisher EG, Xu M, Shinn P, Qiu X, García-Sastre A, Zheng W, Tropsha A. Capuzzi SJ, et al. Among authors: tawa g. J Med Chem. 2018 Apr 26;61(8):3582-3594. doi: 10.1021/acs.jmedchem.8b00035. Epub 2018 Apr 17. J Med Chem. 2018. PMID: 29624387 Free PMC article.
Characterization of chemically induced liver injuries using gene co-expression modules.
Tawa GJ, AbdulHameed MD, Yu X, Kumar K, Ippolito DL, Lewis JA, Stallings JD, Wallqvist A. Tawa GJ, et al. PLoS One. 2014 Sep 16;9(9):e107230. doi: 10.1371/journal.pone.0107230. eCollection 2014. PLoS One. 2014. PMID: 25226513 Free PMC article.
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