Dear Colleagues,
Stefano Piana and DE Shaw have discussed in some of their work the
stability of salt bridges and if I recall correctly one of Stefano's
talk I heard, he also mentioned some efforts to reparameterize the ARG
and LYS sidechains taking salt bridge stability into consideration.
However, until now I did not see a modified set of parameters compatible
with the AMBER force field available. However, its possible I might have
missed something.
Is anybody aware of a new set of parameters for ARG and LYS ?
Any comments on potential issues with the current ARG and LYS parameters
in the context of salt bridges ?
Thanks for any insights
Best wishes
Vlad
--
Dr. Vlad Cojocaru
Computational Structural Biology Laboratory
Department of Cell and Developmental Biology
Max Planck Institute for Molecular Biomedicine
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
http://www.mpi-muenster.mpg.de/43241/cojocaru
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Received on Wed May 25 2016 - 05:00:05 PDT
