The lipid composition of cellular membranes and the balance between the different lipid
components can be impacted by aging, certain pathologies, specific diets and other factors …

The all-atom optimized potentials for liquid simulations (OPLS-AA) force field is a popular
force field for simulating biomolecules. However, the current OPLS parameters for …

We have performed extensive molecular dynamic simulations to analyze the influence of
cation and anion natures, and of water concentration, on the structure and dynamics of water …

The structure of solutions of lithium nitrate in a protic ionic liquid with a common anion,
ethylammonium nitrate, at room temperature is investigated by means of molecular …

The effect of Ca2+ ions on the hydration shell of sodium dodecyl carboxylate (SDC) and
sodium dodecyl sulfonate (SDSn) monolayer at vapor/liquid interfaces was studied using …

Atomistic molecular dynamics (MD) simulations were employed to systematically investigate
the effects of the molar ratio of the individual components cholesterol (CHOL), free fatty acid …

We report a systematic study of the effect of salt concentration and its cation valence on
several equilibrium and transport properties of mixtures of the model protic ionic liquid …

Mesoporous silica materials (MSMs) are well-suited for biomedical applications due to their
unique features, including a large surface area and tunable pore size. To enhance their …

We performed molecular dynamics simulations of mixtures of 1-butyl-3-methylimidazolium
tetrafluoroborate with lithium tetrafluoroborate and potassium tetrafluoroborate between two …

In this work, extensive molecular dynamics simulations of mixtures of alcohols of several
chain lengths (methanol and ethanol) with the ionic liquids (ILs) composed of the cation 1 …