ADL: Autodock, Vina and protein-protein interactions

Lydie Brisson lylouh at hotmail.com
Sat Apr 5 09:39:23 PDT 2014


Dear all, 
I have several questions about molecular docking. 
- I was used to use Autodock 4.2 that can calculate Ki according to binding energy. So my first question is : is there any possibilities for Vina to do so ?
- Next, I would like like to study interactions between two proteins. I have tried Autodock 4 : Too much atoms for it and too big grid space file. I have tried Vina : it works but it is very time and processor consuming since my gridspace is bigger than 27000A3. Can anyone give me a program that could do such calculations faster ?

Thank a lot for your future answers !

Lydie


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