[Dock-fans] What does the score mean?

CAI Qixu caiqixu at gmail.com
Fri Mar 13 20:40:30 PDT 2009


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)
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?
Thank you very much!
-- 
Cai Qixu
Email: caiqixu at gmail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://blur.compbio.ucsf.edu/pipermail/dock-fans/attachments/20090314/c944a44a/attachment.html 


More information about the Dock-fans mailing list