Thanks a lot. and which one is more accurate?
________________________________________
From: Carlos Simmerling [carlos.simmerling.gmail.com]
Sent: Saturday, February 27, 2016 1:48 PM
To: AMBER Mailing List
Subject: Re: [AMBER] How to analyze mutational free energy difference?
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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Feb 27 2016 - 05:30:05 PST
