MD simulations find that planar hydrophobic solutes structure water above their surfaces differently depending on surface size, in qualitative agreement with field theory predictions, but with a transition from entropic to enthalpic-dominated hydration at smaller dimensions than expected.
Daniel J. ColeMike C. PayneLucio Colombi Ciacchi
Amish J. PatelPatrick VarillySumanth N. JamadagniHari AcharyaShekhar GardeDavid Chandler
Niharendu ChoudhuryB. Montgomery Pettitt