Structure-based virtual screening, in silico docking, ADME properties prediction and molecular dynamics studies for the identification of potential inhibitors against SARS-CoV-2 Mpro
Mohan Anbuselvam, Nicole Rendine, Mohammed Kassim Sudheer Mohammed, Anbuselvam Jeeva, Hai‐Feng Ji, Venkateswara Rao Talluri
Topics & Concepts
ADMEVirtual screeningDruggabilityIn silicoDocking (animal)Computational biologyChemistryMolecular dynamicsDrug discoveryBiologyPharmacologyBiochemistryMedicineDrugComputational chemistryNursingGeneComputational Drug Discovery MethodsSynthesis and biological activityEnzyme function and inhibition