Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease

Selvaraj, C., Panwar, U., Dinesh, D. C., Bouřa, E., Singh, P., Dubey, V. K., Singh, S. K. Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease. Frontiers in Chemistry. 2021, 8(Jan 13), 595273. ISSN 2296-2646. E-ISSN 2296-2646. Available: doi: 10.3389/fchem.2020.595273.