T. Bereau

Finite-size transitions in complex membranes

This paper shows that lipid regulation in membranes can lead to critical behavior and critical composition due to finite-size effects, supporting the critical membrane hypothesis.

Moleculewise semi-grand canonical ensembles

The paper introduces an algorithm to simulate molecules in semi-grand canonical ensembles and enables coupling chemical potentials to collective variables for creating asymmetric membranes.

Regulating lipid composition rationalizes acyl-tail saturation homeostasis in ectotherms

The paper models lipid composition regulation in ectotherms, showing cholesterol increases with temperature to control membrane saturation and viscosity.

Inserting small molecules across membrane mixtures: Insight from the potential of mean force

This paper uses potential of mean force calculations and simulations to study how small molecules affect membrane phase separation, finding that insertion location determines their effectiveness.

The role of conformational entropy in the determination of structural-kinetic relationships for helix-coil transitions

The paper examines structural-kinetic relationships in helix-coil transitions using molecular simulations, showing conformational entropy's role in determining kinetic properties.

Structural-Kinetic-Thermodynamic Relationships Identified from Physics-based Molecular Simulation Models

This study investigates structural-kinetic-thermodynamic relationships in a coarse-grained molecular simulation model of the helix-coil transition by varying force-field parameters.