Vladimir P. Berishvili, Valentin O. Perkin, Andrew E. Voronkov, Eugene V. Radchenko, Riyaz Syed, Venkata Ramana Reddy Chittireddy, Viness Pillay, Pradeep Kumar 0003, Yahya E. Choonara, Ahmed Kamal, Vladimir A. Palyulin. Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural Networks: Application to Activity Ranking of Tankyrase Inhibitors. Journal of Chemical Information and Computer Sciences, 59(8):3519-3532, 2019. [doi]
Abstract is missing.