De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations

Amir Hossein Arshia, Shayan Shadravan, Aida Solhjoo, Amirhossein Sakhteman, Ashkan Sami. De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations. Comp. in Bio. and Med., 139:104967, 2021. [doi]

Abstract

Abstract is missing.