Matti Javanainen

The paper calculates flip-flop free-energy barriers for over 700 membrane-lipid combinations using Martini 3 simulations and develops a Bayesian model to predict barriers based on chemical descriptors and membrane structure.

This study shows that protein crowding reduces lipid order in membranes, eliminating the liquid-gel phase transition similar to cholesterol's effect.

This study uses high-throughput simulations to analyze transmembrane helix partitioning in lipid membranes, finding most peptides prefer the disordered phase and some localize at the interface.

The paper investigates the lipid scrambling activity of Sec61 and TRAP using molecular dynamics simulations, showing they facilitate lipid flip-flop via a credit card mechanism and are selective for phosphatidylcholine.

This study compares lipid diffusive dynamics in monolayers and bilayers to understand interleaflet coupling mechanisms.

This study investigates lipid diffusion in bilayers and monolayers, finding that water model properties significantly affect dynamics and suggesting the need for lipid model modifications.

The paper investigates whether calmodulin binds to lipids in the cytosolic leaflet of plasma membranes and finds that CaM interacts with PS and PE, with calcium inducing conformational changes and affecting membrane charge and stability.

prosECCo75 improves MD simulations by incorporating electronic polarization, enhancing accuracy in modeling electrostatic interactions in biological systems without increasing computational cost.

This study uses molecular dynamics simulations to investigate how hydrophobic mismatch affects the lateral sorting of transmembrane peptides by analyzing free energy profiles and peptide orientation.

This study shows that benzaldehyde and its by-product, benzaldehyde propylene glycol acetal, disrupt pulmonary surfactant biophysical function by interacting with surfactant proteins SP-B and SP-C.

This study uses molecular dynamics simulations, Langmuir trough measurements, and AFM imaging to analyze lateral heterogeneity in synthetic pulmonary surfactant monolayers, revealing structural and dynamic differences between liquid-condensed and liquid-expanded regions.