[gmx-users] Re : Simulation for prediction of binding between a peptide and protein

Thomas Evangelidis tevang3 at gmail.com
Mon Apr 11 23:02:01 CEST 2011

You can try Rosetta for flexible peptide docking.

On 11 April 2011 15:32, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:

> Hi,
>> I want to know how can I predict where a designed peptide will bind to my
>> protein target or not using simulation ... Can anybody guide me ??
> I don't think anybody has the computational resources to answer this
> question with unguided MD. Docking programs are probably the way to get a
> guide about what binding modes might be reasonable, but I don't know what
> software might be fit for the purpose.
> Mark
> --
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Thomas Evangelidis

PhD student

Biomedical Research Foundation, Academy of Athens

4 Soranou Ephessiou , 115 27 Athens, Greece

email: tevang at bioacademy.gr

          tevang3 at gmail.com

website: https://sites.google.com/site/thomasevangelidishomepage/
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