Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations

Abu-Saleh, Abd Al-Aziz A ; Awad, Ibrahim E ; Yadav, Arpita ; Poirier, Raymond A

Physical chemistry chemical physics : PCCP, 2020-10, Vol.22 (4), p.2399-2316 [Periódico revisado por pares]

England: Royal Society of Chemistry

Texto completo disponível