Hi Shatresh,
Our lab has published
a work (J. Med. Chem.,
2005, 48 (17), pp 5437â544), in
which
binding free energies for MMPs are reported using Qsite. Please let me
know if you have any further questions on the paper.
Senthil
Natesan
From: Kshatresh Dutta
Dubey kshatresh-$-gmail.com <owner-chemistry.%x%.ccl.net>
To: "Natesan, Senthil "
<sen.natesan.%x%.yahoo.com>
Sent: Sun, April 4, 2010 3:54:19
AM
Subject: CCL: free energy
calculations
Dear all,
Can we claculate the free energy for the
output of QM/MM calculations performed by Qsite (Schrodinger
Inc.).
Every help is heartly
appreciated.
Regards
Kshatresh