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(a) Energy ΔUn /N and (b) entropy ΔSn /NkB per molecule of transferring N water molecules from bulk into the nonpolar cavity of IL-1β, estimated under the assumption of negligible protein reorganization energy.26 Results are shown for simulations using the amber03 force field with TIP3P water (circles), and the amber94 force field with TIP3P (squares) and SPC/E water (triangles).
