ADL: docking libraries

mohsen ramezanpour ramezanpour.mohsen at gmail.com
Wed Nov 2 00:48:55 PDT 2011


Ok
Thanks

On Tue, Nov 1, 2011 at 1:49 PM, Saba Ferdous <saba.bsbi154 at iiu.edu.pk>wrote:

> 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
> > ________________________________________________
> > --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
> >
>
>
>
> --
> Saba Ferdous
> Research Scholar (M. Phil)
> National Center for Bioinformatics
> Quaid-e-Azam University, Islamabad
> Pakistan
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>


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