ADL: Positive result when using score_only option

Diogo Martins diogo.stmart at gmail.com
Thu Jul 28 08:36:54 PDT 2016


Hi Stephanie,

It means the ligand is really bad, or the pose is really bad. For example,
if you docked that ligand into protein A and than rescored with score_only
in protein B, you can meaningless results if proteins A and B are not
perfectly aligned (the ligand can even overlap with protein B atoms).

Hope this helps,

Diogo

On 28 July 2016 at 15:41, Stephanie Portelli <Stephanie.Portelli at lshtm.ac.uk
> wrote:

> Dear All,
> I have obtained a positive result (7.33 kcal/mol) when carrying out the
> score_only function within vina.
>
> Did anyone ever have a similar result? and what does it mean?
>
> Thanks,
>
> Stephanie
>
>
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