From owner-chemistry@ccl.net Sat Apr 30 11:49:00 2011 From: "John Merle jkmerle(0)yahoo.com" To: CCL Subject: CCL: peptides/amino acids and implicit solvation Message-Id: <-44501-110430114606-9808-P36v8uIzw+zOfOhsGsMwOw*_*server.ccl.net> X-Original-From: John Merle Content-Type: text/plain; charset=us-ascii Date: Sat, 30 Apr 2011 08:45:43 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: John Merle [jkmerle__yahoo.com] Is anyone aware of articles in the literature that describe methods of treating solvation for reactions of amino acids and peptides that have different gas phase and solution protonation states. I would like to calculate solvation free energies and enthalpies for these types of reactions. Thanks, John Merle