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Molecular Docking: Approaches Types Applications and Basic

What are the approaches to molecular docking?
Approaches of Molecular Docking
The moves involve variations to the structure of ligand either internally (torsional angle rotations) or externally (rotations and translations).
The ligand in every move in the conformational limit releases energy, as “Total Energy”.
What is application of molecular docking?
Molecular docking is frequently used in the process of computer aided drug design (CADD).
It can be applied in different stages of the drug design process in order to: (1) predict the binding mode of already known ligands; (2) identify novel and potent ligands and (3) as a binding affinity predictive tool.
What are the techniques used in docking?
Docking can be performed by placing the rigid molecules or fragments into the protein's active site using different approaches like clique-searching, geometric hashing, or pose clustering.
The docking process involves two basic steps: prediction of the ligand conformation as well as its position and orientation within these sites (usually referred to as pose) and assessment of the binding affinity.

Abstract Molecular docking is a kind of bioinformatic modelling which involves the interaction of two or more molecules to give the stable adduct.Autres questions

Molecular Docking: Approaches Types Applications and Basic

What are the approaches to molecular docking?

What is application of molecular docking?

What are the techniques used in docking?