The molecular docking approach can be used to investigate interaction between a small molecule and a protein. Molecular docking is one of the most frequently used methods in structure-based drug design, due to its ability to predict the binding-conformation of small molecule ligands to the appropriate target binding site. Characterization of the binding behaviour plays an important role in rational design of drugs as well as to elucidate fundamental biochemical processes.
This video will provide you full step by step manual on Protein-ligand docking using Autodock
MGL Tools: mgltools.scripp...
Autogrid4 and Autdock4 : autodock.scripp...
Open Babel GUI: github.com/ope...
12 сен 2024