Transmembrane proteins comprise~ 30% of the mammalian proteome, mediating
metabolism, signalling, transport and many other functions required for cellular life. The …

The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

The fundamental roles that peptides and proteins play in today's biology makes it almost
indisputable that peptides were key players in the origin of life. Insofar as it is appropriate to …

The detailed understanding of the binding of small molecules to proteins is the key for the
development of novel drugs or to increase the acceptance of substrates by enzymes …

Lipids play important modulatory and structural roles for membrane proteins. Molecular
dynamics simulations are frequently used to provide insights into the nature of these protein …

β Barrel outer membrane proteins (OMPs) cluster into supramolecular assemblies that give
function to the outer membrane (OM) of Gram-negative bacteria. How such assemblies form …

Lipids, phospholipids and cholesterol in particular, are the predominant components of the
plasma membrane, wherein multidrug efflux transporters of the ATP-binding cassette (ABC) …

G protein-coupled receptors (GPCRs) are embedded in phospholipids that strongly
influence drug-stimulated signaling. Anionic lipids are particularly important for GPCR …

In the final steps of energy conservation in aerobic organisms, free energy from electron
transfer through the respiratory chain is transduced into a proton electrochemical gradient …