Re: how to set pH

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Wed Mar 31 2010 - 06:59:06 CDT

Hello,

One possibility is PROPKA http://propka.ki.ku.dk/

Best regards,
Ajasja

On Wed, Mar 31, 2010 at 13:29, Jrme Hnin <jhenin_at_ifr88.cnrs-mrs.fr>wrote:

> Hi,
>
> To describe pH in your system, you should look at titratable residues
> in the protein, and decide in which protonation states these are most
> likely to be. There are various tools to do this, depending on how
> critical it is for you to get this right. I recommend doing some
> bibliographic research on pKa prediction for titratable residues in
> proteins, prediction of protonation states, etc.
>
> Best,
> Jerome
>
>
>
> 2010/3/31 crazylyf <crazylyf_at_163.com>:
> > Hi ,
> >
> > I am a freshman in this field and I have a question recently. I want to
> run
> > a simulation that has a certain pH outside of a membrane protein. Is
> there
> > any way can I achieve this?
> >
> > Thank you very much.
> >
> > Regards,
> > Crick
>
>

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