From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Fri Mar 12 2004 - 13:40:33 CST
I thought since there had been discussions recently about simulating pH
that this paper might stimulate some more thinking.
Proton Binding to Proteins: pKa Calculations with Explicit and Implicit
Solvent Models
Thomas Simonson, Jens Carlsson, and David A. Case
http://dx.doi.org/10.1021/ja039788m
Brian
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**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
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