[Dock-fans] What does the score mean?

[CAI Qixu]

Hi John,
Thank you very much for your answer.
And the words are in the section *3.1.3. Contact Scoring.*
Good luck!

On Sat, Mar 14, 2009 at 8:18 PM, John J. Irwin <jji at cgl.ucsf.edu> wrote:

> Hi Cai Qixu
>
> CAI Qixu wrote:
> > Hi, everyone.
> > I use the dock to search databases, and the score method is grid-based
> > energy score. I find that for each small molecule in the database,
> > there is a so-called "grid score" after DOCK. The scores are nealy all
> > negative, but I don't understand the means of the scores? Does it mean
> > that the smaller of the score, the more attractive of the small
> > molecule to the receptor protein? (just that -7<-3, so the molecule of
> > -7 is more attractive)
> yes.
> > PS: In the DOCK manual for "contact scoring", there is a explain for
> > the score in contact scoring, that is "The attractive score in grid is
> > negative and a repulsive score is positive." Is that the same to the
> > energy scoring?
> http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#ContactScore
> It seems to me the words you cite are not in the section on Contact Score.
>
> good docking
>
> John
> UCSF DOCK Team
>
>


-- 
Cai Qixu
Email: caiqixu at gmail.com
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