Could someone please help with this. Has anyone worked on anything similar.
Any guidance would be helpful
On Fri, 16 Oct 2020 at 03:40, Jisha B <jisha.b.k0511.gmail.com> wrote:
> Dear all,
> I have a protein which has a two metal activation where in it requires two
> catalytically active magnesium ions. Since there are no crystal structures
> with the magnesium ions, I would have to place them based on the
> information from literature where in they have said which amino acids
> interact with the metal ions. What would be the right strategy to include
> the metal ions into the system before proceeding to the simulation? Also is
> there any method to ensure that the ion stays within the system and not
> move out during the course of the simulation. Any suggestions would be
> helpful
>
> Thank you.
> Jisha
>
>
>
--
Jisha B.
G-Tech Computer Education,
Kerala,
India.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Oct 17 2020 - 03:30:02 PDT
