Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

2002

Journal or Book Title

Journal of Chemical Physics

Volume

116

Issue

21

First Page

9359

Last Page

9363

DOI

10.1063/1.1474582

Abstract

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.

Comments

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

Rights

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.

Copyright Owner

American Institute of Physics

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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