Reshaping the dynamics of follicle-stimulant hormone receptor models in polyunsaturated lipid bilayers. Calculation of conformational free energy landscapes of α-helical domains from all-atom MD simulations.
E. Jardon-Valadez, A. Ulloa-Aguirre, T. Portillo-Bobadilla, G. Villavicencio-Pulido
This study uses molecular dynamics simulations to analyze conformational dynamics of GPCR helical domains in polyunsaturated lipid membranes, showing that dihedral restraints improve conformational stability.
bioRxiv · Jun 6, 2022 · PreprintBiophysics