BiophysicsbioRxiv
Relative Affinities of Protein-Cholesterol Interactions from Equilibrium Molecular Dynamics Simulations
T. B. Ansell, L. Curran, M. R. Horrell…·R. A. Corey
This study develops a method to determine protein-lipid binding affinities from MD simulations and validates it against experimental and computational methods.
DOI 10.1021/acs.jctc.1c00547