*2.9. MD Simulation*

The structural conformational stability of a protein-ligand was investigated using molecular dynamics (MD) simulation. The structural insight of Rv1636 and Rv1636 with *β*-amyrin in water at 298 K was analyzed. RMSD, RMSF, Rg, SASA, and funnel energy of landscape (FEL) were tracked throughout 50 ns [73–76].
