More on protonation states in proteins

 Hello again,
 	I need to update my summary from earlier this morning.  Below is
 another reply I recieved.  I must add one other reference I've come across
 today.  For me, this has been one of those papers that sends my mind
 realing over the possbilities that exist.  You might concider taking a
 look at this if your at all interested in protonation of proteins.
 Bashford & Gerwert (1992) L. Mol. Bio., 224, 473-486.
 Best regards,
 Charles Letner
 Wright State University
 Department of Biochemistry
 Dayton, OH 45435
 e-mail: cletner' at \`
 ---------- Forwarded message ----------
 From: Eberhard von Kitzing <vkitzing' at \`>
 Dear Charles Letner,
 The following article might help:
 %0 Journal Article
 %A Russel, S. T.
 %A Warshel, Arieh
 %D 1985
 %T Calculations of Electrostatic Energies in Proteins; The Energetics of
 Ionized Groups in Bovine Pancreatic Trypsin Inhibitor
 %J Journal of Molecular Biology
 %V 185
 %P 389-404
 %K electrostatic energy, proteins, intrinsic pK values, Bovine Pancreatic
 Trypsin Inhibitor, solvation energy, solvation energy, protein dipoles
 Langevin dipoles, force field design
 %0 Journal Article
 %A Reynolds, John C. L.
 %A Cooke, Kristi Forrest
 %A Northrup, Scott H.
 %D 1990
 %T Electrostatic and Diffusional Dynamics in the Carbonic Anhydrase Active
 Site Channel
 %J Journal of Physical Chemistry
 %V 94
 %P 985-991
 %K diffusion, Brownian dynamics, pK values, electrostatic interaction
 Eberhard von Kitzing
 Max-Planck-Institut fuer Medizische Forschung
 Jahnstr. 29, D69120 Heidelberg, FRG
 Carl-Zuckmayer Str. 17, D69126 Heidelberg (privat)
 FAX : +49-6221-486 459  (work)
 Tel.: +49-6221-486 467  (work)
 Tel.: +49-6221-385 129  (home)
 internet: vkitzing' at \`