The cell, as the most fundamental unit of life, is a microcosm of biology in which the
confluence of nearly all aspects of classical physics (mechanics, statistical physics …

After decades of progress in computational protein design, the design of proteins folding and
functioning in lipid membranes appears today as the next frontier. Some notable successes …

The transmembrane protein 16 (TMEM16) family of membrane proteins includes both lipid
scramblases and ion channels involved in olfaction, nociception, and blood coagulation …

Protein design is a powerful tool for elucidating mechanisms of function and engineering
new therapeutics and nanotechnologies. Although soluble protein design has advanced …

Electrostatic forces are one of the primary determinants of molecular interactions. They help
guide the folding of proteins, increase the binding of one protein to another and facilitate …

Computer simulations suggest that the translocation of arginine through the hydrocarbon
core of a lipid membrane proceeds by the formation of a water-filled defect that keeps the …

We report a new implicit solvent simulation model for studying the self-assembly of
surfactants, where the hydrophobic interactions were captured by calculating the relative …

The interpretation of experimental observations of the dependence of membrane protein
function on the properties of the lipid membrane environment calls for a consideration of the …

The M2 proton channel aids in the exit of mature influenza viral particles from the host
plasma membrane through its ability to stabilize regions of high negative Gaussian …

Charged amino acids are known to be important in controlling the actions of integral and
peripheral membrane proteins and cell disrupting peptides. Atomistic molecular dynamics …