Sebastian Thallmair

Lipid versatility of the C2C domain of Extended Synaptotagmin 3 safeguards plasma membrane binding

The paper investigates the membrane-binding mechanism of the C2C domain of E-Syt3, revealing its lipid versatility and how it maintains ER-PM contacts during PI(4,5)P2 depletion.

Martini 3 coarse-grained models of azobenzene-based photolipids: Modulation of membranes with light

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

Photopharmacology in Action: Conformational Landscape of a Photoswitchable Covalent Kinase Inhibitor

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.

GoMartini 3: From large conformational changes in proteins to environmental bias corrections

This paper introduces an enhanced G[o]Martini model that improves protein dynamics simulation and addresses inaccuracies in the Martini protein model through diverse case studies.

Martini 3 protein models - a practical introduction to different structure bias models and their comparison

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

GPCR surface creates a favorable pathway for membrane permeation of drug molecules

This study shows that the {beta}2AR surface facilitates drug membrane permeation, with over 50% of flip-flop events using this pathway, suggesting its importance for drug design.