Understanding water dynamics and structure is an important topic in biological systems. It is
generally held in the literature that the interfacial water of hydrated phospholipids is highly …

Short-wavelength collective molecular motions, also known as phonons, have recently
attracted much interest in revealing dynamic properties of biological membranes through the …

While molecular dynamics (MD) models for reverse osmosis (RO) and nanofiltration (NF)
membranes are useful for studying water filtration processes, the specific water model and …

Understanding the influence of dehydration on the membrane structure is crucial to control
membrane functionality related to domain formation and cell fusion under anhydrobiosis …

Modulating the structures and properties of biomembranes via permeation of small
amphiphilic molecules is immensely important, having diverse applications in cell biology …

The slow relaxation of interface water (IW) across three primary phases of membranes is
relevant to understand the influence of IW on membrane functions at supercooled …

All-atom molecular dynamics simulations of a 1, 2-dimyristoyl-sn-glycero-3-phosphocholine
bilayer in contact with liquid water were performed at different temperatures ranging from …

Molecular dynamics simulation of lipid bilayers generally uses all-atom, united-atom, and
coarse-grained models of lipid molecules. The GROMOS united-atom model of lipid …

The structure and dynamics of interfacial water in biological systems regulate the
biochemical reactions. But, it is still enigmatic how the behavior of the interfacial water …

All atom molecular dynamics simulations of fully hydrated dimyristoylphosphatidylcholine
lipid bilayers are performed for total 9.45 μs showing a fluid to a ripple to a gel phase …