Time-domain analysis of molecular dynamics trajectories using deep neural networks: application to activity ranking of tankyrase inhibitors
作者
Vladimir P Berishvili, Valentin O Perkin, Andrew E Voronkov, Eugene V Radchenko, Riyaz Syed, Chittireddy Venkata Ramana Reddy, Viness Pillay, Pradeep Kumar, Yahya E Choonara, Ahmed Kamal, Vladimir A Palyulin
发表日期
2019/7/5
期刊
Journal of chemical information and modeling
卷号
59
期号
8
页码范围
3519-3532
出版商
American Chemical Society
学术搜索中的文章
VP Berishvili, VO Perkin, AE Voronkov, EV Radchenko… - Journal of chemical information and modeling, 2019