Molecular Docking and Structure Based Drug Design
Docking is a structure-based technique which attempts to find the “best” match, between two molecules. Molecular docking can be thought of as a problem of “lock-and-key”, in which one wants to find the correct relative orientation of the “key” which will open up the “lock” (where on the surface of the lock is the key hole, which direction to turn the key after it is inserted, etc.). The explosion of structural informatics, genomics and proteomic plays a major role in leading t...