Autodock is the best software for protein-ligand docking. It is available in GUI as well. Go though the tutorial: autodock.scripps.edu/faqs-help/tutorial/using...for-virtual-screening/VSTutorial2.pdf
Hello,
Virtual screening can be done by several approaches such similarity searching, molecular docking or QSAR. I suppose you refer to molecular docking, as stated above you can follow the general tutorial of vina. But if you are also interested on the background of this techique you can check the following papers:
10.1002/prot.10115
10.1016/j.drudis.2006.03.009
10.1016/j.abb.2015.08.002
http://tip.zaragoza.unam.mx/index.php/tip/article/view/143/156
Hope this helps
Kind regards
You will find this interesting!
https://www.sciencedirect.com/topics/medicine-and-dentistry/virtual-screening
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