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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: venkata ramana reddy c. 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