ADL: Autodock Vina Algorithms

Oleg Trott trott at scripps.edu
Wed Feb 5 11:14:12 PST 2014


Hi


On Sun, Feb 2, 2014 at 12:57 PM, Gregg Harley-Potter
<13069702 at brookes.ac.uk> wrote:
> Hi,
>
> I am an undergraduate student at Oxford Brookes University. I've been using Autodock Vina to run protein-ligand docking and I am having difficulty finding any information regarding how the binding affinity is calculated by the algorithms.


The Vina paper (linked from the web site), has a section called
Scoring Function, if this is what you are asking.


>
> I have looked through many journal articles and can't find anything.
>
> I'd really appreciate any help.
>
> Kind regards,
>
> Gregg Harley-Potter
> ________________________________________________
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-- 
Oleg Trott, Ph.D. (Columbia University)

Staff Scientist in the Olson Lab
The Scripps Research Institute

http://olegtrott.com


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