[AMBER] Modified ARG LYS parameters

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Wed, 25 May 2016 13:51:35 +0200

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

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
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Received on Wed May 25 2016 - 05:00:05 PDT
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