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Molecular Docking using PyRx and AutoDock/Vina #bioinformatics #molecular #docking #ligand #target

Ashok Kumar T

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Molecular Docking using PyRx and AutoDock/Vina #bioinformatics #molecular #docking #ligand #target

6 541 просмотр · 5 л. назад
Ashok Kumar T
6,21 тыс. подписчиков
6 541 просмотр · 5 л. назад
This video tutorial explains molecular docking using AutoDock Vina, AutoDock, Chimera, PyRx, PyMOL, and LigPlot+ (or LigPlus). The target molecule was retrieved from PDB and ligand molecule from PubChem databases. Public URL for the sources and tools are below, RCSB PDB - Depository for macromolecules https://www.rcsb.org/ NCBI PubChem - Depository for small molecules https://pubchem.ncbi.nlm.nih.gov/ Chimera - For molecule manipulation and visualization https://www.cgl.ucsf.edu/chimera/down... PyRx (includes AutoDock Vina) - Grapical interface to AutoDock https://sourceforge.net/projects/pyrx/ AutoDock4 - For target-ligand docking (optional) http://autodock.scripps.edu/downloads PyMOL - Molecule visualization and exporting https://pymol.org/2/ LigPlot+ - 2D plot & 3D target-ligand interaction visualization https://www.ebi.ac.uk/thornton-srv/so... --------------------------------------------------------------------------------------- My Blog: https://www.biob.in Website: http://www.biogem.org My Vlog:    / ashokkumarbioit   YouTube Handle:    / @akbit   My GitHub: https://github.com/AshokHub --------------------------------------------------------------------------------------- Background Music: ► Music By Scandinavianz - Coco Islands :   / ...​   ► Music provided by NCS BEST OF :    • Видео   #BioGem #biogem.org #BioBIN #biob.in #Bioinformatics #AKBIT #NCBI #PubChem #RCSB #PDB #PyMOL #LigPlot #LigPlus #AutoDock #PyRx #Vina #Chimera #bioinformaticsforbeginners #tools #protocol #tutorial #tutorialvideo #chemical #drug #drugdelivery #drugdiscovery #drugdevelopment #database #tools