- Proton Transfer Networks and the Mechanism of Long Range
Proton Transfer in Proteins (2010) - The main energy providing
reaction systems in living cells, for example the photosynthesis
or the respiratory chain, are based on long range proton
transfer (LRPT) reactions. Even since these LRPT reactions have
been heavily investigated in the last decades, the mechanism of
these reactions is still not completely understood. The reaction
kinetics of the LRPT are under heavy discussion and it is not
clear, whether the reorientation of the hydrogen bond network
(HBN)or the electrostatic barrier for the charge transfer is
rate limiting. The main purpose of this work is to investigate
the dynamics of chemical reactions inside of proteins, focused
on long range proton transfer reactions. Electron transfer
reactions, rotations of water molecules or conformational
changes of the protein are also considered. The developed
sequential dynamical Monte Carlo (SDMC) method is applicable to
almost all kinds of chemical reaction