Modern simulation and modeling approaches to investigation of biomolecular structure and
function rely heavily on a variety of methods—water models—to approximate the influence …

Redox potentials are a major contributor in controlling the electron transfer (ET) rates and
thus regulating the ET processes in the bioenergetics. To maximize the efficiency of the ET …

Hybrid quantum mechanical/molecular mechanical (QM/MM) methods have become
indispensable tools for the study of biomolecules. In this article, we briefly review the basic …

Photosystem II allows water to be the primary electron source for the photosynthetic electron
transfer chain. Water is oxidized to dioxygen at the Oxygen Evolving Complex (OEC), a Mn 4 …

The present Review is an attempt by projecting the basic knowledge on photochemical
proton transfer to achieve consistent understanding of proton motions in biocatalysis …

We propose that retinal-based phototrophy arose early in the evolution of life on Earth,
profoundly impacting the development of photosynthesis and creating implications for the …

Cytochrome c oxidase (CcO) uses the energy released by reduction of O2 to H2O to drive
eight charges from the high pH to low pH side of the membrane, increasing the …

Abstract Cytochrome c Oxidase (CcO) reduces O 2, the terminal electron acceptor, to water
in the aerobic, respiratory electron transport chain. The energy released by O 2 reductions is …

Proteins are polyelectrolytes with acidic and basic amino acids Asp, Glu, Arg, Lys, and His,
making up≈ 25% of the residues. The protonation state of residues, cofactors, and ligands …

Biological membranes are barriers to polar molecules, so membrane embedded proteins
control the transfers between cellular compartments. Protein controlled transport moves …