This review focuses on the type A cytochrome c oxidases (C c O), which are found in all
mitochondria and also in several aerobic bacteria. C c O catalyzes the respiratory reduction …

Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

QM/MM simulations have become an indispensable tool in many chemical and biochemical
investigations. Considering the tremendous degree of success, including recognition by a …

Conspectus Biological energy conversion is catalyzed by membrane-bound proteins that
transduce chemical or light energy into energy forms that power endergonic processes in …

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 …

Selective proton transport through proteins is essential for forming and using proton
gradients in cells. Protons are conducted along hydrogen-bonded 'wires' of water molecules …

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

In this perspective article, I discuss several research topics relevant to quantum mechanical
(QM) methods in biophysical and biochemical applications. Due to the immense complexity …

POT transporters represent an evolutionarily well-conserved family of proton-coupled
transport systems in biology. An unusual feature of the family is their ability to couple the …

Water-assisted proton transport through confined spaces influences many phenomena in
biomolecular and nanomaterial systems. In such cases, the water molecules that fluctuate in …