Quick Guide to Autodock Vina in 20 MinutesNo theory, just hands-on guidance to do docking!

Molecular docking is a computational technique used in structural biology, bioinformatics, and drug discovery to predict the preferred orientation, conformation, and binding affinity of a ligand (small molecule) with a target macromolecule (typically a protein). The primary goal of molecular docking is to understand and predict the nature of the interaction between the ligand and the macromolecule, which can be crucial in drug design and other molecular recognition processes.

1. AutoDock Vina
https://vina.scripps.edu/
2. Mgltools
https://ccsb.scripps.edu/mgltools/
3. BIOVIA Discovery Studio Visualizer
https://discover.3ds.com/discovery-st...
4. Open Babel
https://sourceforge.net/projects/open...

********config file************

receptor = .pdbqt
ligand = .pdbqt

center_x =
center_y=
center_z =

size_x =
size_y =
size_z =


energy_range = 4

exhaustiveness = 8

***********************end***********************




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