Free-energy of association of transmembrane helices

From: Ethan Croitoru (
Date: Fri Jul 17 2020 - 20:05:40 CDT

I am trying to calculate the free-energy of association of two
transmembrane helices, and am looking for tips. For instance if I should
use a coarse-grained model or all atom simulation, an implicit or
explicit membrane, and use umbrella sampling or the extended ABF from the
binding free-energy tutorial.

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