Journal or Book Title
Journal of Chemical Physics
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.
Copyright 2002 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
American Institute of Physics
Song, Xueyu, "An Inhomogeneous Model of Protein Dielectric Properties: Intrinsic Polarizabilities of Amino Acids" (2002). Chemistry Publications. 868.