Thilo Duve

The paper presents Martini 3 coarse-grained models for azobenzene-based photolipids and demonstrates their ability to accurately simulate membrane properties and photocontrol effects.

This study investigates how a photoswitchable covalent inhibitor for JNK3 modulates its conformational dynamics through light-induced isomerization, revealing mechanisms for light-controlled drug activity.

This paper introduces Martini 3 protein modeling, comparing three structure bias methods for maintaining protein structures in simulations.