ADL: optimization of parameters

Douglas Houston DouglasR.Houston at ed.ac.uk
Tue Jul 9 03:51:21 PDT 2013


Is the predicted binding conformation of the ligand the same in every  
case? If so there may be one binding mode that's clearly better than  
all the alternatives and tweaking the search parameters isn't  
preventing Autodock from finding it.


Quoting shalinee <shalinee at iitg.ernet.in> on Tue, 9 Jul 2013 03:35:54  
-0700 (PDT):

> hii..
>
> i was trying to optimize the genetic algorithm parameters in order to zero
> down on the best values for my protein-ligand binding..however none of
> these changes seem to affect the docking result..the Ki and binding energy
> are more or less the same..can anybody plz explain me the reason behind
> this.
>
> Thanx
>
> Shalinee
>
>
>
>
>
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_____________________________________________________
Dr. Douglas R. Houston
Lecturer
Room 3.23
Institute of Structural and Molecular Biology
Michael Swann Building
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Edinburgh, EH9 3JR, UK
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