Proton transfer and transport in water, gramicidin and some selected channels and
bioenergetic proteins are reviewed. An attempt is made to draw some conclusions about …

In protein environments, proton transfer reactions occur along polar or charged residues and
isolated water molecules. These species consist of H-bond networks that serve as proton …

A new method is proposed for performing constant-p H molecular dynamics (MD)
simulations, that is, MD simulations where p H is one of the external thermodynamic …

Complex I couples the free energy released from quinone (Q) reduction to pump protons
across the biological membrane in the respiratory chains of mitochondria and many …

Abstract Lys-66 and Glu-66, buried in the hydrophobic interior of staphylococcal nuclease by
mutagenesis, titrate with pK a values of 5.7 and 8.8, respectively (Dwyer et al., 2000 …

Cellular respiration is powered by membrane-bound redox enzymes that convert chemical
energy into an electrochemical proton gradient and drive the energy metabolism. By …

The crystal structure of photosystem II (PSII) at 3.0-Å resolution suggests that titratable
residues on the lumenal side of D1/D2 and PsbO form a polar channel, which might serve as …

X-ray structures of carbonmonoxymyoglobin (MbCO) are available for different pH values.
We used conventional electrostatic continuum methods to calculate the titration behavior of …

[Frontiers in Bioscience 9, 309-337, January 1, 2004] 309 PROTON AND ELECTRON
TRANSFER IN THE ACCEPTOR QUINONE COMPLEX OF PHOTOS Page 1 [Frontiers in …

Abstract pKA in proteins are determined by electrostatic energy computations using a small
number of optimized protein conformations derived from crystal structures. In these protein …