Unlock the Power of Open Source! The " Linux New " SWAYAM Plus Course is live now and about 2,500 learners have already registered for it.

If you are a registered learner, the forum page is now active. Visit the page and get all your questions answered.

Analyzing Docking Runs - English

This is a sample video. To access the full content,
please Login

1006 visits

  1. Installation Sheet
  2. Report Missing Component
  3. Post your Question on the Forum
Outline:
Open dlg file on the ADT panel.
Open and visualize conformations of ligand on ADT panel.
Analyze the binding energies of various conformations.
Change the display of ligand to sticks 
Change the color of atoms in ligand.
Change the display of receptor to cartoon.
Change the color of residues in the receptor.
Analyze clusters of conformations.
Open dlg file with a text editor and analyze the data.
Export the most favorable docking pose as pdb file.
Width:1038 Height:670
Duration:00:14:13 Size:11.4 MB

Show video info

Pre-requisite

Running AutoDock

  Assignment

Code files

  • Code-files-Analyzing-Docking-Runs/
  • Code-files-Analyzing-Docking-Runs/2vta.dlg
  • Code-files-Analyzing-Docking-Runs/ligand-conf1.pdb
  • Code-files-Analyzing-Docking-Runs/ligand-conf2.pdb

Script

Slides

  • Slides-Analyzing-dockingruns/
  • Slides-Analyzing-dockingruns/Analyzing-docking-runs.tex
  • Slides-Analyzing-dockingruns/st-logo-new.png
  • Slides-Analyzing-dockingruns/Analyzing-docking-runs.pdf