Výsledky vyhledávání - "Valentin O Perkin"

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

Autor: Vladimir P. Berishvili, Ahmed Kamal, Riyaz Syed, Chittireddy Venkata Ramana Reddy, Viness Pillay, Vladimir A. Palyulin, Pradeep Kumar, Yahya E. Choonara, Andrew E Voronkov, Eugene V. Radchenko, Valentin O Perkin

Publikováno v: Journal of chemical information and modeling. 59(8)

Molecular dynamics simulations provide valuable insights into the behavior of molecular systems. Extending the recent trend of using machine learning techniques to predict physicochemical properties from molecular dynamics data, we propose to conside

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e73f148ff770ad5515d27338284ef5b
https://pubmed.ncbi.nlm.nih.gov/31276400

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání