The delineation of protein-lipid interfaces is essential for understanding the mechanisms of
various membrane-associated processes crucial to plant development and growth, including …

Coarse-grained molecular dynamics simulations enable the modeling of increasingly
complex systems at millisecond timescales. The transferable coarse-grained force field …

Biomolecular condensates are phase separated systems that play an important role in the
spatio-temporal organisation of cells. Their distinct physico-chemical nature offers a unique …

Lipid-mediated delivery of active pharmaceutical ingredients (API) opened new possibilities
in advanced therapies. By encapsulating an API into a lipid nanocarrier (LNC), one can …

Martini 3 is a widely used coarse-grained simulation method for large-scale biomolecular
simulations. It can be combined with a Go̅ model to realistically describe higher-order …

The adenosine triphosphate (ATP)-binding cassette (ABC) importer GlnPQ from
Lactococcus lactis has two sequential covalently linked substrate-binding domains (SBDs) …

As a critical step in advancing the simulation of photosynthetic complexes, we present the
Martini 3 coarse-grained (CG) models of key cofactors associated with light harvesting …

G-protein-coupled receptors (GPCRs) play a crucial role in modulating physiological
responses and serve as the main drug target. Specifically, salmeterol and salbutamol, which …

Biomolecular condensates, formed through liquid-liquid phase separation, play wide-
ranging roles in cellular compartmentalization and biological processes. However, their …

Biological membranes are complex and dynamic structures with different populations of
lipids in their inner and outer leaflets. The Ca2+-activated TMEM16 family of membrane …