Antimicrobial peptides (AMPs) are short oligopeptides that can penetrate the bacterial inner
and outer membranes. Together with cell-penetrating peptides (CPPs), they are called …

The ongoing COVID-19 pandemic caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) has resulted in more than 28,000,000 infections and 900,000 …

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 …

APL@ Voro is a new program developed to aid in the analysis of GROMACS trajectories of
lipid bilayer simulations. It can read a GROMACS trajectory file, a PDB coordinate file, and a …

Molecular dynamics (MD) simulations of membranes are often hindered by the slow lateral
diffusion of lipids and the limited time scale of MD. In order to study the dynamics of mixing …

Cardiolipin is an anionic lipid found in the mitochondrial membranes of eukaryotes ranging
from unicellular microorganisms to metazoans. This unique lipid contributes to various …

This review summarises high resolution studies on the interface of lamellar lipid bilayers
composed of the most typical lipid molecules which constitute the lipid matrix of …

The impact of five different imidazolium-based ionic liquids (ILs) diluted in water on the
properties of a bacterial plasma membrane is investigated using molecular dynamics (MD) …

Poor bioavailability due to the inability to cross the cell membrane is one of the major
reasons for the failure of a drug in clinical trials. We have used molecular dynamics …

Antimicrobial peptides (AMPs) are key components of the innate immune response and
represent promising templates for the development of broad-spectrum alternatives to …