From owner-chemistry@ccl.net Thu Sep 20 09:10:00 2012
From: "Andrew Voronkov drugdesign-$-yandex.ru" <owner-chemistry*o*server.ccl.net>
To: CCL
Subject: CCL: question on free energy/constant of dissociation estimation for protein-ligand complex (X-ray)
Message-Id: <-47636-120919170346-27764-snUTr400/J6rMkt+IXXq+Q*o*server.ccl.net>
X-Original-From: Andrew Voronkov <drugdesign##yandex.ru>
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Date: Thu, 20 Sep 2012 01:03:24 +0400
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Sent to CCL by: Andrew Voronkov [drugdesign : yandex.ru]
Dear CCL users, there is plethora of methods for estimation of the free energy of protein-ligand binding. Which software among the fastest is most accurate in evaluation of the free energy of binding for a given protein-ligand complex (X-ray). I need to thoeretically calculate constant of protein-ligand complex dissociation.

Best regards,
Andrew