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
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Received on Thu Oct 15 2020 - 15:30:02 PDT
