With the rapid development of computer power and wide availability of modelling software
computer simulations of realistic models of lipid membranes, including their interactions with …

Cell membrane structure is proposed as a lipid matrix with embedded proteins, and thus,
their emerging mechanical and electrostatic properties are commanded by lipid behavior …

The physical properties of lipid bilayers are sensitive to the specific type and composition of
the lipids that make up the many different types of cell membranes. Studying model bilayers …

Bacterial membranes are complex organelles composed of a variety of lipid types. The
differences in their composition are a key factor in determining their relative permeabilities …

We have determined the molecular structures of commonly used phosphatidylglycerols
(PGs) in the commonly accepted biologically relevant fluid phase. This was done by …

United-atom force fields for molecular dynamics (MD) simulations provide a higher
computational efficiency, especially in lipid membrane simulations, with little sacrifice in …

The properties of sodium dodecyl sulfate (SDS) aggregates in saline solutions of excess
sodium chloride (NaCl) or calcium chloride (CaCl2) ions were studied through extensive …

Polyhexamethylene biguanide (PHMB) is a cationic polymer with antimicrobial and antiviral
properties. It has been commonly accepted that the antimicrobial activity is due to the ability …

As a metal-free polymeric photocatalyst, graphitic carbon nitride (gC 3 N 4) has attracted
great attention owing to its high stability and low toxicity. However, gC 3 N 4 suffers from low …

The properties of sodium dodecyl sulfate (SDS) aggregates were studied through extensive
molecular dynamics simulations with explicit solvent. First, we provide a parametrization of …