[AMBER] GB pairwise decomposition - Salt Bridge

From: Tarsis <tarsis.ferreira.gmail.com>
Date: Wed, 6 Jan 2021 08:28:57 -0600

Dear amber community,

I have calculated the GB pairwise decomposition for an ARG/ASP pair and got
an average of ~-15kcal/mol.

Upon searching the literature, I found that salt bridges residues show an
average of -6 with a max of -10 kcal/mol. Has anyone encountered such a
strong binding affinity amongst salt bridges?

Thanks

tarsis
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 06 2021 - 06:30:06 PST
Custom Search