Matthieu G. Chavent

This study uses all-atom simulations to examine how varying concentrations of lipomannan and lipoarabinomannan affect the structure and dynamics of mycobacterial inner membranes.

This study develops and validates coarse-grained models of mycobacterial outer membranes to investigate lipid organization and PDIM behavior under different lipid environments.

The paper uses molecular dynamics simulations to reveal the unique architecture of the mycobacterial outer membrane, showing fluid outer leaflets and ordered inner leaflets that contribute to bacterial resilience.

This study shows bacterial Teneurins are accessory proteins with encapsulated toxins, suggesting they were repurposed by metazoans for neuronal communication.

The paper shows how Ten4 switches between self-recognition and Latrophilin binding to guide neuronal migration through exclusive structural interactions.

The paper introduces Auto-MartiniM3, a tool for automating the coarse-graining of small molecules for Martini 3 simulations, validated on 81 molecules and complex cases like caffeine.

The paper develops a coarse-grained modeling approach to study Mincle receptor interactions with glycolipids, identifying key parameters like loop flexibility and calcium ion regulation.

The paper indexes and analyzes 250,000 molecular dynamics simulation files to create a search engine prototype for MD data.