For the example data set and problem in the figure above, anything above order 1 ( linear extrapolation ) will possibly yield unusable values; an error estimate of the extrapolated value will grow with the degree of the polynomial extrapolation.
2.
"S " 0 is an extrapolated value of " S ", " e " is the dielectric constant of the mixture and " k " is a constant that relates to the dielectric constant of water.
3.
Based on the computed excess chemical potentials of the purely repulsive methane-sized WCA solute with respect to that in the bulk, the extrapolated values of cosine value of contact angle are calculated ( ccHydrophobicity ), which can be used to quantify the hydrophobicity of amino acid side chains with complete wetting behaviors.
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