A coarse-grained simulation model for low-density lipoprotein.

Peeking through a computational microscope

We use computer simulations to observe biomolecules in motion

Biomolecular interfaces at focus

We use molecular dynamics simulations to study how the structural complexity of biological interfaces and membranes gives rise to their physiological functions. We are currently interested in understanding how membrane heterogeneity, asymmetry, and curvature regulate the function of membrane-embedded proteins. We also develop simulation models and methods, with a focus on an atomistic model for the lung surfactant.