HYDRATION FREE-ENERGIES; MOLECULAR-DYNAMICS SIMULATIONS; DENSITY-FUNCTIONAL THEORY; POLARIZABLE CONTINUUM MODEL; 2-PHASE THERMODYNAMIC MODEL; HYDROPHOBIC SOLVATION; SOLVENT MODEL; CONFORMATIONAL EQUILIBRIA; ENTHALPY-ENTROPY; FORCE-FIELD
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.12, no.10, pp.5088 - 5099
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