"Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural ..."

Vladimir P. Berishvili et al. (2019)

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DOI: 10.1021/ACS.JCIM.9B00135

access: closed

type: Journal Article

metadata version: 2021-10-14

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  - https://dblp.org/rec/journals/jcisd/BerishviliPVRSC19
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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