ynamics (MD) simulation

2.11.1.  Playmolecule open server
Two of the WS phytoconstituents viz. withanolides A and B showing significant binding to selected viral target proteins were subjected to molecular dynamics simulation studies with SARS CoV-2 spike receptor binding domain (PDB ID: 6M0J) and SARS CoV-2 papain like protease (PDB ID: 6W9C), res