Sterenin M as a potential inhibitor of SARS-CoV-2 main protease identified from MeFSAT database using molecular docking, molecular dynamics simulation and binding free energy calculation
Jignesh Prajapati, R. B. Patel, Dweipayan Goswami, Meenu Saraf, Rakesh Rawal
Topics & Concepts
In silicoDocking (animal)ProteaseProtein Data Bank (RCSB PDB)Computational biologyChemistryBiologyVirologyBiochemistryEnzymeGeneMedicineNursingComputational Drug Discovery MethodsSynthesis and biological activitySARS-CoV-2 and COVID-19 Research