Gesellschaft für Informatik e.V.

Lecture Notes in Informatics


German Conference on Bioinformatics GCB 2007 September 26 - 28, 2007, Potsdam, Germany P-115, 111-122 (2007).

Gesellschaft für Informatik, Bonn
2007


Editors

Claudia Falter (ed.), Alexander Schliep (ed.), Joachim Selbig (ed.), Martin Vingron (ed.), Dirk Walther (ed.)


Copyright © Gesellschaft für Informatik, Bonn

Contents

QVADIS - a package to compute proton transfer pathways in proteins

Kerstin Kunz and Volkhard Helms

Abstract


Proton transfer reactions play an important role in many areas of biology. We reimplemented a method introduced by Taraphder et al. to characterize putative proton transfer pathways in proteins along hydrogen bonded networks and could retrace their results on cytochrome P450cam. By combining this method with our established Q-HOP approach to compute proton transfer probabilities we present here to our best knowledge for the first time a general program package to characterize proton transfer pathways in biomolecules accounting for both side chain flexibility and transfer kinetics.


Full Text: PDF

Gesellschaft für Informatik, Bonn
ISBN 978-3-88579-209-3


Last changed 04.10.2013 18:15:27