Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations
Phạm Minh Quân, Khanh Bao Vu, T. Ngoc Han Pham, Le Thi Thuy Huong, Linh Tran, Nguyễn Thanh Tùng, Van V. Vu, Trung Hai Nguyen, Sơn Tùng Ngô · RSC Advances · 2020
A combination of Autodock Vina and FPL calculations suggested that periandrin V , penimocycline , cis-p-Coumaroylcorosolic acid , glycyrrhizin , and uralsaponin B are able to bind well to SARS-CoV-2 Mpro.