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Cell‐penetrating peptide induces various deformations of lipid bilayer membrane: Inverted micelle, double bilayer, and transmembrane
Author(s) -
Kawamoto Shuhei,
Miyakawa Takeshi,
Takasu Masako,
Morikawa Ryota,
Oda Tatsuki,
Saito Hiroaki,
Futaki Shiroh,
Nagao Hidemi
Publication year - 2012
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.23177
Subject(s) - bilayer , lipid bilayer , model lipid bilayer , transmembrane protein , lipid bilayer phase behavior , micelle , membrane , peptide , lipid bilayer mechanics , chemistry , biophysics , elasticity of cell membranes , chemical physics , molecular dynamics , crystallography , computational chemistry , biochemistry , biology , receptor , aqueous solution
Abstract We investigated the deformation of lipid bilayer membrane by cell‐penetrating peptide using coarse‐grained molecular dynamics simulation. The simulations have been performed with different values of two parameters, strength of angle potential of lipid and strength of attractive interaction between peptide and lipid heads. We obtained the phase diagram of deformation of membrane and found that there are four kinds of structures such as surface dent, inverted micelle, double bilayer, and transmembrane. The results suggest that one peptide can make various structures on lipid bilayer membrane. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012