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"Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural ..."
Vladimir P. Berishvili et al. (2019)
- Vladimir P. Berishvili
, Valentin O. Perkin
, Andrew E. Voronkov, Eugene V. Radchenko
, Riyaz Syed, Venkata Ramana Reddy Chittireddy, Viness Pillay
, Pradeep Kumar
, 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. J. Chem. Inf. Model. 59(8): 3519-3532 (2019)
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