The potential of mean force (PMF) of a phospholipid in a bilayer is a key thermodynamic
property that describes the energetic cost of localized lipid defects. We have calculated the …

We have investigated the thermodynamics of phospholipid flip-flop and desorption. Using a
series of PC (phosphatidylcholine) lipids with different lengths of acyl tails, and number of …

Conspectus The defects and pores within lipid membranes are scientifically interesting and
have a number of biological applications. Although lipid bilayers are extremely thin …

The free energy profile of pore formation in a lipid membrane, covering the entire range from
a density fluctuation in an intact bilayer to a large tension-stabilized pore, has been …

Various biophysical processes involve the formation of aqueous pores over lipid
membranes, including processes of membrane fusion, antimicrobial peptide activity, lipid flip …

Hydrophilic pores are formed in peptide free lipid bilayers under mechanical stress. It has
been proposed that the transport of ionic species across such membranes is largely …

Atomistic molecular dynamics simulations of a lipid bilayer were performed to calculate the
free energy of a trans-membrane pore as a function of its radius. The free energy was …

A minimalist simulation model for lipid bilayers is presented. Each lipid is represented by a
flexible chain of beads in implicit solvent. The hydrophobic effect is mimicked through an …

Building on Kramers' theory for reaction kinetics in liquids and using laboratory experiments,
we show how strengths of molecular anchoring and material cohesion in fluid-lipid …

The asymmetric insertion of amphiphiles into biological membranes compromises the
balance between the inner and outer monolayers. As a result, area expansion of the …