Journal of Pharmaceutical Analysis and Drug Research ISSN: 3108-0839 (Online)

Authors:- Sarvesh Kumar, Suryakant Prasad

Abstract:- The computer modelling of the structures of complexes generated by two or more interacting molecules is known as molecular docking. Docking is a method in molecular modelling that predicts the preferred orientation of one molecule to another when they are linked together to create a stable complex. Using scoring functions, knowledge of the preferred orientation may be used to predict the strength of the connection or binding affinity between two molecules. Because of its capacity to anticipate the binding-conformation of small molecules ligands to the proper target binding site, molecular docking is one of the most often utilised techniques in structure-based drug design.

Keywords:- Molecular Modelling, Scoring Functions