[AMBER] Amber TI accuracy

From: Nikolay N. Kuzmich <nnkuzmich.gmail.com>
Date: Tue, 15 Aug 2017 18:36:59 +0300

Dear Amber user and developers,

I would like to ask you how accurate are the TI calculations of ddG in Amber
for different ligands bound to a protein?
How large is the average deviation from the experimental data?
How big can be structural difference between the ligands (e.g. number of
heavy atoms)
for the precision to remain acceptable?
Any useful links to the topic are highly appreciated too.

Thank you,
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Received on Tue Aug 15 2017 - 09:00:02 PDT
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