ain protease (PDB ID: 6LU7) with withanolide A were performed using Ligand and Receptor Molecular Dynamics (LARMD, http://chemyang.ccnu.edu.cn/ccb/server/LARMD/;http://agroda.gzu.edu.cn:9999/ccb/server/LARMD/). It is an online bioinformatics tool to investigate and visualize ligand-driven protein dynamics. LARMD comprises of three computational modules out o