G. Fiorin

Membrane free-energy landscapes derived from atomistic dynamics explain nonuniversal cholesterol-induced stiffening

This study uses enhanced molecular dynamics simulations to quantify cholesterol-induced stiffening in lipid membranes and shows its lipid-specific nature.

The SPICA Coarse-Grained Force Field for Proteins and Peptides

The paper develops and improves a coarse-grained force field for proteins and peptides, showing good performance in simulating membrane protein behavior and interactions.

Data-guided Multi-Map variables for ensemble refinement of molecular movies

This paper introduces a method to refine molecular simulations using data-guided collective variables, showing improved free-energy estimates and structural accuracy compared to existing models.

Fungal dual-domain LysM effectors undergo chitin-induced intermolecular, and not intramolecular, dimerization

This study shows that fungal dual-domain LysM effectors form intermolecular rather than intramolecular dimers upon chitin binding, leading to lower affinity compared to Ecp6 but enabling polymer formation.

Coexistence of lipid phases stabilizes interstitial water in the outer layer of mammalian skin

This study uses molecular dynamics simulations to show that lipid phase coexistence in the stratum corneum creates water droplets that facilitate hydrophilic permeation.