mize the variance successively. Another added advantage of PCA is a 3D visualization in chemical space of how ‘drug-like’ are the molecules under study to known standard drugs in terms of their proximity to them in 3D chemical space.

2.11.  Molecular dynamics (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 subjecte