CCL: Poisson-Boltzmann pka calculations

From: Goedele Roos <groos#,#vub.ac.be>
Subject: CCL: Poisson-Boltzmann pka calculations
Date: Wed, 19 Oct 2011 19:15:15 +0200

 Sent to CCL by: Goedele Roos [groos|-|vub.ac.be]
 Dear all,
 Has someone experience with poisson-Boltzmann pka calculations?
 I noticed there are several PB solvers downloadable like H++ and Adaptive
 Poisson-Boltzmann Solver (APBS)...which ones are good to use?
 How well does PB calculations perform for cysteine pka's in proteins?
 Thanks in advance for help,
 Goedele
 _____________________________
 Goedele Roos, PhD
 Department of General Chemistry http://we.vub.ac.be/~algc/
 VIB, Department of Structural Biology, Vrije Universiteit Brussel | http://www.structuralbiology.be/
 Brussels Center for Redox Biology | http://redox.vub.ac.be/
 Vrije Universiteit Brussel, Building G, room 10G714
 Pleinlaan 2, 1050 Brussels,Belgium
 phone: +32 2 6293312
 fax: +32 2 6293317
 E-mail: groos##vub.ac.be