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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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PostPosted: Tue Dec 03, 2013 6:32 pm 
Millimolar User
Millimolar User
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Joined: Tue Dec 03, 2013 6:12 pm
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Dear Autodock users!

I'd like to perform docking calculations of multi ligand datasets with the receptor-target using either Autodock or Autodock Vina+ ADT GUI software on my desktop consisted on 6 core i7+ 2 GPU Geforce Titans. From such semi-flexible (taking into account flexibility of the both ligand and ligand-binding site residues) docking run I'd like to obtain both predicted poses as well as detailed free energy of the binding (with the description of each term) according to each pose. Please tell me what software would be most fit this requirements?

Also I could not find video tutorials (links on tutorial page was brocken)- I'll be thankfull if you provide me with its too.

Thanks for help,


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