Tracking conformational transitions of the gonadotropin hormone receptors in a bilayer of (SDPC) poly-unsaturated lipids from all-atom molecular dynamics simulations
Fig 10
Projection of the first principal component (PC1) on the 3D structure of the gonadotropin receptors.
A. FSHR (orange structure) with arrows on Cα atoms that represent the amplitude and directions of the motion of PC1. B. LHCGR (orange structure) with arrows on Cα atoms that represent the amplitude and directions of the motion of PC1. Color code for arrows: yellow-R1, white-R2, and lavender-R3. Motion of the extracellular regions dominated the dynamics of the receptors. The LHCGR showed divergent motions in replicates R1 to R3 as trajectories started from configurations, respectively, at 0 ns,100 ns, and 180 ns of the POPC run.