ADL: docking libraries

Saba Ferdous saba.bsbi154 at iiu.edu.pk
Tue Nov 1 03:19:06 PDT 2011


Go for virtual screening...

On Tue, Nov 1, 2011 at 2:53 PM, mohsen ramezanpour <
ramezanpour.mohsen at gmail.com> wrote:

> Dear users
>
> I have 2 libraries of ligands and proteins(50 ligands and 50 proteins)
> and I am interested to dock all ligands to all proteins.
>
> It seems to me that I have 2 solutions for this problem:
> 1- I have to *dock each ligand to all proteins* and repeat this process for
> *all ligands*
> 2-I have to *dock each protein to all ligands* and repeat this process for
> *all
> proteins*
>
> Which one is possible and easier with Autogrid and Autodock?
> Note: each protein have only one Active site,So all ligands will dock to
> the same Active site
>
> Please let me know how can I solve this problem
> Do you know any tutorial related to this problem?
>
> Thanks in advance for your ideas
> Best
> Mohsen
> ________________________________________________
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>



-- 
Saba Ferdous
Research Scholar (M. Phil)
National Center for Bioinformatics
Quaid-e-Azam University, Islamabad
Pakistan


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