Molecular dynamics simulations of cellular membranes have come a long way—from simple
model lipid bilayers to multicomponent systems capturing the crowded and complex nature …

Recent advances in molecular dynamics (MD) simulations have led to rapid improvement in
our understanding of the molecular details of the outer membranes (OMs) of Gram-negative …

The rise in multi-drug resistant Gram-negative bacterial infections has led to an increased
need for “last-resort” antibiotics such as polymyxins. However, the emergence of polymyxin …

Membranes─ cells' essential scaffolds─ are valid molecular targets for substances with an
antimicrobial effect. While certain substances, such as octenidine, have been developed to …

Mitochondria are implicated in many cellular functions such as energy production and
apoptosis but also disease pathogenesis. To effectively perform these roles, the …

The World Health Organization has identified multidrug-resistant bacteria as a serious
global health threat. Gram-negative bacteria are particularly prone to antibiotic resistance …

Molecular dynamics (MD) simulations can capture the dynamic behavior of proteins in full
atomic detail and at very fine temporal resolution, so they have become an important tool in …

Chromosome organization is integral to life, as it plays a pivotal role in maintaining the
integrity and functionality of genomic materials, as well as facilitating the transcription …