It's difficult to find good, free software for large scale virtual screening. If you have good compute power, you can easily automate AutoDock Vina with a small script to perform docking screening. It's a really good piece of software for docking and fast as well.

GOLD, GLIDE, MOE, Discovery Studio are commercial softwares for protein-ligand docking/ Virtual screening. Auto-dock is based on Lamarckian Genetic Algorithm, it is freely available. Don't use any online screening tools.

Hi Yogesh,

idock is freely available, and very fast:

https://github.com/HongjianLi/idock

https://github.com/HongjianLi/idock/archive/v2.2.2.zip

Is there a good tutorial for Autodock or idock? I cannot seem to find one.

Hi,

The following video tutorials are for AutoDock Vina:

https://www.youtube.com/watch?v=-GVZP0X0Tg8

https://www.youtube.com/watch?v=2Ckz_YNDHh0

http://wwwuser.gwdg.de/~dseelig/plugin_tutorial.html

http://wwwuser.gwdg.de/~dseelig/virtual_screening.html

idock can be executed by the same protocol with AutoDock Vina.

Hi, you can try with molegro virtual docker

Dear Yogesh

Auto-dock and molegro are good choice for you.

Best

Thank you so much for your valuable answers

Is there a good tutorial for Auto-dock or idock