An Inhomogeneous Model of Protein Dielectric Properties: Intrinsic Polarizabilities of Amino Acids

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2002-01-01
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A simple inhomogeneous model of proteindielectric properties is discussed. A protein in solution is modeled as a collection of polarizable dipoles in a cavity embedded inside a dielectric medium. The intrinsic polarizabilities of 20 amino acids are assumed to be portable to all proteins in nature. A reasonable set of these polarizability values has been obtained by comparing dielectricfluctuations from molecular dynamics simulations with model calculations. The results are consistent within a data set of three small proteins.

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The following article appeared in Journal of Chemical Physics 116 (2002): 9359, doi:10.1063/1.1474582.

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Tue Jan 01 00:00:00 UTC 2002
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