Towards an understanding of complex biological membranes from atomistic molecular dynamics simulations |
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Authors: | Saiz Leonor Bandyopadhyay Sanjoy Klein Michael L |
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Affiliation: | (1) Center for Molecular Modeling and Chemistry Department, University of Pennsylvania, 231 S. 34th St., Philadelphia, PA, 19104-6323;(2) Department of Chemistry, Indian Institute of Technology, Kharagpur, 721 302 West Bengal, India |
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Abstract: | Computer simulation has emerged as a powerful tool for studying the structural and functional properties of complex biological membranes. In the last few years, the use of recently developed simulation methodologies and current generation force fields has permitted novel applications of molecular dynamics simulations, which have enhanced our understanding of the different physical processes governing biomembrane structure and dynamics. This review focuses on frontier areas of research with important biomedical applications. We have paid special attention to polyunsaturated lipids, membrane proteins and ion channels, surfactant additives in membranes, and lipid–DNA gene transfer complexes. |
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Keywords: | Biomembranes membrane proteins lipid– DNA complexes lipid– protein interactions gene therapy polyunsaturated lipids surfactants nicotinic acetylcholine receptor ion channel peptide bundle docosahexaenoic fatty acid fluid lamellar phase |
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