Solid-State NMR-Restrained Ensemble Dynamics of a Membrane Protein in Explicit Membranes.

Solid-state NMR has been used to determine the structures of membrane proteins in native-like lipid bilayer environments. Most structure calculations based on solid-state NMR observables are performed using simulated annealing with restrained molecular dynamics and an energy function, where all nonbonded interactions are represented by a single, purely… CONTINUE READING