Subject: How to calculate pKa values in large proteins?...

From: Vladislav Vassiliev <[email-masked]>
Date: Tue, 6 May 1997 17:43:38 -0400 (EDT)

Dear Netters:

Let's imagine I have coordinates of a real protein (for example, from
PDB) and now I would like to know the pKa values of all the residues
(Asp's, Glu's, Lys's, Arg's, His's) at a given pH. What kind of programs
could predict these pKa values?

I would also be interested in any references concerning the approaches of
this kind of prediction.

Thanks in advance,
Dr. V.Vassiliev