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Dipole lattice membrane model for protein calculations
Author(s) -
Grossfield Alan,
Sachs Jonathan,
Woolf Thomas B.
Publication year - 2000
Publication title -
proteins: structure, function, and bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.699
H-Index - 191
eISSN - 1097-0134
pISSN - 0887-3585
DOI - 10.1002/1097-0134(20001101)41:2<211::aid-prot60>3.0.co;2-9
Subject(s) - dipole , lattice (music) , membrane , electrostatics , physics , chemical physics , lattice model (finance) , statistical physics , chemistry , molecular physics , nuclear magnetic resonance , quantum mechanics , biochemistry , acoustics , polymer
A dipole lattice model for lipid membranes and their interactions with peptides is presented. It uses the Langevin dipole method to calculate electrostatic interactions in the heterogeneous membrane environment. A series of test cases are presented, including spherical charges, dipoles, side chain analogs, and helical peptides. The model consistently produces qualitatively correct results. Proteins 2000;41:211–223. © 2000 Wiley‐Liss, Inc.