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Getting Started with Docking - English

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Questions posted on Forums
AutoDock4 Tutorials - English

Questions posted on ST Forums:

Autodock
Can we choose some other ligand of our choice also
05-06M 10-20S monikakamboj

Answer last updated on: Aug. 12, 2024, 12:51 p.m.
Autodock
Can we choose some other ligand of our choice also
05-06M 10-20S monikakamboj

Answer last updated on: Aug. 9, 2024, 3:20 p.m.
How to create input file in autodock
I am not able to create an input file, what is the solution
02-03M 10-20S snehalathak

Answer last updated on: Aug. 9, 2024, 2:46 p.m.

8

Outline:

Visit RCSB Protein Data Bank website. Download ligand and protein files from the RCSB database. Move the downloaded files to home folder. Open ADT interface using the terminal. Perform ligand refinement using AutoDockTools. Add hydrogens to the ligand structure. Save the structure as PDB file. Display root atom. Display allowed torsions in the ligand structure Save the refined ligand as pdbqt file.

Width:	1048	Height:	644
Duration:	00:11:08	Size:	8.4 MB

Show video info

Pre-requisite

Installation of AutoDock4 on Linux OS

Assignment

Code files

Code-files-Getting-Started/
Code-files-Getting-Started/2vta_D_LZ1.mol2

Script

Slides

Slides-Getting-started-with-Autodock/
Slides-Getting-started-with-Autodock/st-logo-new.png
Slides-Getting-started-with-Autodock/Getting-started-corrections.tex
Slides-Getting-started-with-Autodock/Getting-started-corrections.pdf

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