Molecular Docking Overview | Protein-Ligand Docking | Lecture 10 Part 1 | Dr. Muhammad Naveed
Автор: Dr. Muhammad Naveed
Загружено: 2020-02-04
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Links to download required software:
Autodock Vina
https://github.com/ccsb-scripps/AutoD...
MGL Tools
http://mgltools.scripps.edu/downloads
Python
https://www.python.org/downloads/
Discovery Studio
https://discover.3ds.com/discovery-st...
PyMol
https://pymol.org/2
Overview of Docking using Autodock Vina, Drug Designing, MGL Tools, Discovery Studio, Python & PyMol.
In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex. Knowledge of the preferred orientation in turn may be used to predict the strength of association or binding affinity between two molecules using, for example, scoring functions.
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.
#Docking #ProteinDocking #MolecularDocking
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