Time-domain Analysis of Molecular Dynamics Trajectories...

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Journal of Chemical Information and Modeling 2019 / 07

Time-domain Analysis of Molecular Dynamics Trajectories using Deep Neural Networks: Application to Activity Ranking of Tankyrase Inhibitors

Berishvili, Vladimir, Perkin, Valentin O., Voronkov, Andrew E., Radchenko, Eugene V., Riyaz, s, Venkata Ramana Reddy, Chittireddy, Pillay, Viness, Kumar, Pradeep, Choonara, Yahya Essop, Kamal, Ahmed,
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Language:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/acs.jcim.9b00135
Date:
July, 2019
File:
PDF, 1.45 MB
english, 2019
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