Steering Molecular Dynamics Simulations of Membrane-Associated Proteins with Neutron Reflection Results
B. W. Treece, F. Heinrich, A. Ramanathan, M. Loesche
The paper introduces a method to integrate neutron reflectometry data into molecular dynamics simulations to improve structural accuracy and conformational exploration of membrane-associated proteins.
bioRxiv · Oct 30, 2019Biophysics