Molecular Docking using PyRx and AutoDock/Vina
3.4 هزار بار بازدید -
3 سال پیش
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This video tutorial explains molecular
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
www.rcsb.org/
NCBI PubChem - Depository for small molecules
pubchem.ncbi.nlm.nih.gov/
Chimera - For molecule manipulation and visualization
www.cgl.ucsf.edu/chimera/download.html
PyRx (includes AutoDock Vina) - Grapical interface to AutoDock
sourceforge.net/projects/pyrx/
AutoDock4 - For target-ligand docking (optional)
autodock.scripps.edu/downloads
PyMOL - Molecule visualization and exporting
pymol.org/2/
LigPlot+ - 2D plot & 3D target-ligand interaction visualization
www.ebi.ac.uk/thornton-srv/software/LigPlus/
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Website: www.biogem.org/
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YouTube Handle: youtube.com/@AKBIT
My GitHub: github.com/AshokHub
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#BioGem #biogem.org #BioBIN #biob.in #Bioinformatics #AKBIT #NCBI #PubChem #RCSB #PDB #PyMOL #LigPlot #LigPlus #AutoDock #PyRx #Vina #Chimera
3 سال پیش
در تاریخ 1400/05/08 منتشر شده
است.
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