Open AccessAn inhomogeneous model of protein dielectric properties: Intrinsic polarizabilities of amino acids
Author(s) -
Xueyu Song
Publication year - 2002
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.1474582
Subject(s) - polarizability , dielectric , dipole , molecular dynamics , chemical physics , amino acid , chemistry , computational chemistry , statistical physics , materials science , physics , molecular physics , biological system , condensed matter physics , molecule , optoelectronics , organic chemistry , biochemistry , biology
A simple inhomogeneous model of protein dielectric 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 dielectric fluctuations from molecular dynamics simulations with model calculations. The results are consistent within a data set of three small proteins.
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