Hi,
Thanks I have done the docking study, I will look at the tutorial as
suggested.
On 2 June 2014 05:34, Aldo Segura <asegurac666.yahoo.com.mx> wrote:
>
> Hi,
>
> I think you should try to use docking to get a protein-ligand complex.
> Then, you can use it for a MD simulation with Amber. Take a look at the
> tutorial 3 in the Amber website:
> http://ambermd.org/tutorials/advanced/tutorial3/
>
> Best,
>
> Aldo
>
>
> =======================================
> Aldo Segura-Cabrera
> Postdoctoral Fellow
> Division of Experimental Hematology and Cancer Biology
> Cancer and Blood Diseases Institute
> Cincinnati Children's Hospital Medical Center
> 3333 Burnet Ave, MLC 7013, Cincinnati OH 45229
>
> =========================================
>
>
> El Domingo, 1 de junio, 2014 22:21:54, Jurgens de Bruin <
> debruinjj.gmail.com> escribió:
>
>
>
> Hi All,
>
>
> Firstly I am new to AMBER and MD of proteins. I have been working on
> Homology Modeling and Docking for 2years now and would like to start using
> AMBER for MD purposes.
>
> I do hope someone can be of assistance, I would like to know if it would be
> possible to track the movement of a ligand within a protein cavity using
> AMBER and if so point me in the correct direction?
>
> Thanks a lot.
>
> --
> Regards/Groete/Mit freundlichen Grüßen/recuerdos/meilleures salutations/
> distinti saluti/siong/duì yú/привет
>
> Jurgens de Bruin
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>
--
Regards/Groete/Mit freundlichen Grüßen/recuerdos/meilleures salutations/
distinti saluti/siong/duì yú/привет
Jurgens de Bruin
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Received on Sun Jun 01 2014 - 22:30:02 PDT
