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Dependence of the association of Alexa488 with proline residues in (Pro)10-Cys-Alexa488 on the solute-water interaction scaling factor, λpw, for AMBER ff03w and AMBER ff99SBw. (A) Root-mean-square difference between experimental and simulation anisotropy data, (B) fraction of time Alexa488 is associated with proline residues, and (C) binding (open symbols, broken lines) and unbinding (solid symbols, solid lines) times as a function of λpw.
