[AMBER] Calculations of dG for protein-ions

From: James Starlight <jmsstarlight.gmail.com>
Date: Sun, 11 Sep 2016 00:57:36 +0400

Dear Amber users!

I am interesting whether the free energy of binding of metalo-ions
considered as the cofactors within the protein interiour (like
calmodulin) could be calculated using MMGBSA aproach, or,
alternatively is better to use another post-processing method? I will
be very thankfull for any references.

Thanks for help!

James

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Received on Sat Sep 10 2016 - 14:00:02 PDT
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