this can be done either with TI or by using MD with MMPBSA, depending on
the level of accuracy that you need.
On Sat, Feb 27, 2016 at 7:46 AM, Mahdieh Hadi <mahdieh.hadi.bric.ku.dk>
wrote:
> I have almost the same problem. Which tutorial is suitable for ligand
> binding?
> ________________________________________
> From: Carlos Simmerling [carlos.simmerling.gmail.com]
> Sent: Saturday, February 27, 2016 1:39 PM
> To: AMBER Mailing List
> Subject: Re: [AMBER] How to analyze mutational free energy difference?
>
> what is the process for which you want the free energy? ligand binding?
> folding? activation? then we can suggest tutorials for that.
>
> On Sat, Feb 27, 2016 at 2:34 AM, Mijiddorj Batsaikhan <
> b.mijiddorj.gmail.com
> > wrote:
>
> > Dear users,
> >
> > I want to make mutational free energy difference of protein structure
> > (delta G = G wild-type - G mutant). If you do not mind, please give me
> > advice, and suggestions of related tutorials.
> >
> >
> > Batsaikhan
> > _______________________________________________
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Sat Feb 27 2016 - 05:00:10 PST
