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In silico identification of potential inhibitors of key SARS-CoV-2 3CL hydrolase (Mpro) via molecular docking, MMGBSA predictive binding energy calculations, and molecular dynamics simulation
Choudhary MI,
Shaikh M,
tul-Wahab A,
ur-Rahman A
(2020)
In silico identification of potential inhibitors of key SARS-CoV-2 3CL hydrolase (Mpro) via molecular docking, MMGBSA predictive binding energy calculations, and molecular dynamics simulation.
PLOS ONE 15(7): e0235030.
https://doi.org/10.1371/journal.pone.0235030