[AMBER] Binding free energy for dimeric form

From: Maryam Hamzehee <maryam_h_7860.yahoo.com>
Date: Wed, 23 Aug 2017 11:55:07 +0000 (UTC)

Dear All
I would like to know if I want to calculate binding energy of a ligand-receptor complex in dimeric form (i.e 2:2 stoichiometric ratio) which is composed of 4 separate chains, should I consider the dimeric form for binding energy calculation which is active in biological systems. Please consider that a disulfide bond is formed in dimeric form of ligand in complex. I did not find any comment in this regard in archives of AMBER.
Your help would be highly appreciated.
All the bestMaryam 
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Received on Wed Aug 23 2017 - 05:00:02 PDT
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