Despite tremendous successes in the field of antibiotic discovery seen in the previous
century, infectious diseases have remained a leading cause of death. More specifically …

Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable
membrane environment for proteins to being embedded in to detailed roles in complicated …

Gram-negative bacteria are surrounded by a protective outer membrane (OM) with
phospholipids in its inner leaflet and lipopolysaccharides (LPS) in its outer leaflet. The OM is …

β-Barrel outer membrane proteins (OMPs) represent the major proteinaceous component of
the outer membrane (OM) of Gram-negative bacteria. These proteins perform key roles in …

Biomolecular simulation is increasingly central to understanding and designing biological
molecules and their interactions. Detailed, physics‐based simulation methods are …

The envelope of Gram-negative bacteria is highly complex, containing separate outer and
inner membranes and an intervening periplasmic space encompassing a peptidoglycan …

Simulations of membrane proteins have been rising in popularity in the past decade.
Advancements in technology and force fields made it possible to simulate behavior of …

The cell envelope of Gram-negative bacteria consists of two membranes surrounding a
periplasm and peptidoglycan layer. Molecular machines spanning the cell envelope depend …

Flavobacterium psychrophilum causes bacterial cold-water disease in wild and aquaculture-
reared fish and is a major problem for salmonid aquaculture. The mechanisms responsible …

Gram-negative bacteria are protected by a multicompartmental molecular architecture
known as the cell envelope that contains two membranes and a thin cell wall. As the cell …