Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
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 …

Membrane protein structure, function, and dynamics: a perspective from experiments and theory

Z Cournia, TW Allen, I Andricioaei, B Antonny… - The Journal of …, 2015 - Springer
Membrane proteins mediate processes that are fundamental for the flourishing of biological
cells. Membrane-embedded transporters move ions and larger solutes across membranes; …

Lateral opening of a translocon upon entry of protein suggests the mechanism of insertion into membranes

PF Egea, RM Stroud - … of the National Academy of Sciences, 2010 - National Acad Sciences
The structure of the protein-translocating channel SecYEβ from Pyrococcus furiosus at 3.1-Å
resolution suggests a mechanism for chaperoning transmembrane regions of a protein …

The bacterial Sec-translocase: structure and mechanism

JA Lycklama a Nijeholt… - … Transactions of the …, 2012 - royalsocietypublishing.org
Most bacterial secretory proteins pass across the cytoplasmic membrane via the
translocase, which consists of a protein-conducting channel SecYEG and an ATP …

Dynamics of long-distance hydrogen-bond networks in photosystem II

F Guerra, M Siemers, C Mielack… - The Journal of Physical …, 2018 - ACS Publications
Photosystem II uses the energy of absorbed light to split water molecules, generating
molecular oxygen, electrons, and protons. The four protons generated during each reaction …

Breaking on through to the other side: protein export through the bacterial Sec system

KE Chatzi, MF Sardis, S Karamanou… - Biochemical …, 2013 - portlandpress.com
More than one-third of cellular proteomes traffic into and across membranes. Bacteria have
invented several sophisticated secretion systems that guide various proteins to …

[HTML][HTML] Extended protein/water H-bond networks in photosynthetic water oxidation

AN Bondar, H Dau - Biochimica et Biophysica Acta (BBA)-Bioenergetics, 2012 - Elsevier
Oxidation of water molecules in the photosystem II (PSII) protein complex proceeds at the
manganese–calcium complex, which is buried deeply in the lumenal part of PSII …

Arginine in membranes: the connection between molecular dynamics simulations and translocon-mediated insertion experiments

EV Schow, JA Freites, P Cheng, A Bernsel… - The Journal of …, 2011 - Springer
Several laboratories have carried out molecular dynamics (MD) simulations of arginine
interactions with lipid bilayers and found that the energetic cost of placing arginine in lipid …

Dynamic coupling of fast channel gating with slow ATP-turnover underpins protein transport through the Sec translocon

JA Crossley, WJ Allen, DW Watkins, T Sabir… - The EMBO …, 2024 - embopress.org
The Sec translocon is a highly conserved membrane assembly for polypeptide transport
across, or into, lipid bilayers. In bacteria, secretion through the core channel complex …

Channel crossing: how are proteins shipped across the bacterial plasma membrane?

I Collinson, RA Corey, WJ Allen - … Transactions of the …, 2015 - royalsocietypublishing.org
The structure of the first protein-conducting channel was determined more than a decade
ago. Today, we are still puzzled by the outstanding problem of protein translocation—the …