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Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural Networks: Application to Activity Ranking of Tankyrase Inhibitors.
Berishvili VP, Perkin VO, Voronkov AE, Radchenko EV, Syed R, Venkata Ramana Reddy C, Pillay V, Kumar P, Choonara YE, Kamal A, Palyulin VA. Berishvili VP, et al. Among authors: voronkov ae. J Chem Inf Model. 2019 Aug 26;59(8):3519-3532. doi: 10.1021/acs.jcim.9b00135. Epub 2019 Jul 19. J Chem Inf Model. 2019. PMID: 31276400
Progress in visual representations of chemical space.
Osolodkin DI, Radchenko EV, Orlov AA, Voronkov AE, Palyulin VA, Zefirov NS. Osolodkin DI, et al. Among authors: voronkov ae. Expert Opin Drug Discov. 2015;10(9):959-73. doi: 10.1517/17460441.2015.1060216. Epub 2015 Jun 22. Expert Opin Drug Discov. 2015. PMID: 26094796 Review.
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