CCL: peptides/amino acids and implicit solvation
- From: John Merle <jkmerle++yahoo.com>
- Subject: CCL: peptides/amino acids and implicit solvation
- Date: Sat, 30 Apr 2011 08:45:43 -0700 (PDT)
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