de Jong, D. H., Schaefer, L. V., de Vries, A. H., Marrink, S. J., Berendsen, H. J. C., & Grubmüller, H. (2011). Determining equilibrium constants for dimerization reactions from molecular dynamics simulations. Journal of Computational Chemistry, 32(9), 1919-1928. doi:10.1002/jcc.21776.