VinaLigGen: a method to generate LigPlots and retrieval of hydrogen and hydrophobic interactions from protein-ligand complexes.

Developments in the field of computational structural biology and with increasing computing speeds have encouraged researchers in studying large compound libraries during the virtual screening. After performing molecular docking, the consideration of vina score in filtering the compounds without collecting the hydrogen bond or hydrophobic interaction between protein and ligand complex leads to missing multiple good lead molecules. The tools used for virtual screening in drug design and discovery studies were previously designed and developed for small datasets.