Unveiling G-Protein-Coupled Receptor Conformational Dynamics via Metadynamics Simulations and Markov State Models
Rita Ann Roessner, Nicolas Floquet, Maxime Louet
This study uses metadynamics and Markov state models to explore the conformational dynamics of GHSR-1a, revealing ligand-dependent metastable states and intermediate structures.
Journal of Chemical Information and Modeling · Apr 24, 2025Peer-reviewedBiophysics