[gmx-users] Denaturation of Proteins by MARTINI Coarse-Graining Forse Field

rasoul nasiri nasiri1355 at gmail.com
Wed Dec 16 11:36:33 CET 2009


Dear GMX users,
Hi

I'm working on denaturation of proteins with MARTINI CGFF by Gromacs suit.
according to this paper (J. Chem. Theory and Comput. 2008, 4, 819–834) I
undestand there is a limitation for modeling of folding and unfolding with
MARITI CGFF for systems in which the folding and unfolding of
secondary  structures
are playing a substantial role are therefore not suitable for modeling with
current CG force field.
since I perform CGMD simulation on tertiary structure, is there this
limitation on my system or no?
If your question is positive, Is there an improved version of MARTINI CGFF
for doing it?
Can I use Gō model for resolve of this problem?
What is your idea about this problem?

I'm looking forward to hearing from you about this matter!

Beast Regards
Rasoul
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