Re: [AMBER] MD simulation of the whole protein or just its ligand-binding domain

From: Billy Williams-Noonan <billy.williams-noonan.monash.edu>
Date: Tue, 6 Jun 2017 19:39:39 +1000

I would imagine it would depend how long your simulation ran for. Why
would you want to do this?

Billy

On 6 June 2017 at 19:02, Nikolay N. Kuzmich <nnkuzmich.gmail.com> wrote:

> Dear Amber users,
>
> there is a somewhat strange question.
> Is it possible to simulate domain of a protein molecule
> (ligand-binding domain, for instance) -
> I mean,does it make sense and how critically should one consider the
> results?
> How distant will they be from the real world, or to be exact, from the
> results
> if the whole protein had been simulated?
>
> Kind regards,
> Nick
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Received on Tue Jun 06 2017 - 03:00:02 PDT
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