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Chapter 19 Molecular Docking

What is the concept of molecular docking?
Molecular docking is the study of how two or more molecular structures (e.g., drug and enzyme or protein) fit together [50].
In a simple definition, docking is a molecular modeling technique that is used to predict how a protein (enzyme) interacts with small molecules (ligands).
How do I learn molecular docking?
Course Content
1Unit - 1 Introduction of Molecular Docking. 1.
1) Introduction to moleuclar docking 00:13:00.
2) Unit - 2 From Conventional to Modern Drug Design.
3) Unit - 3 Molecular Docking Technique.
4) Unit - 4 Types of docking.
5) Unit - 5 Modes of Docking.
6) Unit - 6 Sampling Algorithms.
7) Unit - 7 Pose Selection.
8) Unit - 8 Docking Target.
What is molecular docking PDF?
Molecular Docking is the computational modeling of the structure of complexes formed by two or more interacting molecules.
The goal of molecular docking is the prediction of the three dimensional structures of interest.
Docking itself only produces plausible candidate structures.
Docking can be achieved through two interrelated steps: first by sampling conformations of the ligand in the active site of the protein; then ranking these conformations via a scoring function.

What is the concept of molecular docking?