I want to lock my peptide in cis conformation and see its effect on
conformation and dynamics. is there any way to do that? the structure is in
trans conformation. How can I convert it to cis? I am thinking about fixing
the peptide during the simulation. is that a good idea?
Thanks
Dhiraj
On Fri, Feb 6, 2015 at 11:32 AM, Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> Look into work by Donald Hamelberg, I think he may have done work in that
> area.
> On Feb 6, 2015 11:40 AM, "Dhiraj Srivastava" <dhirajks.gmail.com> wrote:
>
> > Hi
> > did any one tried to do simulation on the effect of cis-trans
> > isomerization on protein conformation and dynamics? like prolyl
> isomerases
> > catalysed the cis-trans isomerization.
> >
> > Thank you
> > Dhiraj
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Received on Fri Feb 06 2015 - 10:00:06 PST
