[AMBER] Calculation of dG for dimeric system

From: Enrico Martinez via AMBER <amber.ambermd.org>
Date: Fri, 6 Jan 2023 10:29:00 +0100

Dear Amber Users!
I am dealing with the modeling of a dimeric protein (in the assembled
state) in water composed of two monomers of 300 amino acids. Which
protocol may be useful to calculate dG for this macromolecular complex
(if it's even possible .. ) ? Is it possible to use techniques like
MMGBSA or thermodynamic integration?
Many thanks in advance

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Received on Fri Jan 06 2023 - 02:00:02 PST
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