MOLECULAR DOCKING: CONCEPT AND RECENT ADVANCES

Molecular docking is a computational method used to established the interaction of two molecules generating a binding model. In many drug discovery applications, docking is done between a small molecule and a macromolecule for example, protein-ligand docking. The simulation of the docking process as such is a much more complicated process in this approach, the protein and the ligand are separated by some physical distance, and the ligand finds its position into the protein’s active site after a certain number of “moves” in its conformational space. The present Review focuses Concept, Strategy, Types and other Aspects with Recent Advances of Molecular Docking.