Towards an understanding of complex biological membranes from atomistic molecular dynamics simulations.
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.
Saiz
Leonor
L
Center for Molecular Modeling and Chemistry Department, University of Pennsylvania, Philadelphia 19104-6323, USA. leonor@cmm.chem.upenn.edu
Bandyopadhyay
Sanjoy
S
Klein
Michael L
ML
D000818:Animals; D002462:Cell Membrane / Q000737:chemistry*; D003198:Computer Simulation; D004247:DNA / Q000737:chemistry; D006801:Humans; D007473:Ion Channels / Q000737:chemistry; D008051:Lipid Bilayers / Q000737:chemistry; D046911:Macromolecular Substances; D008563:Membrane Lipids / Q000737:chemistry; D008565:Membrane Proteins / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D009038:Motion; D025941:Protein Interaction Mapping; D013501:Surface-Active Agents / Q000737:chemistry; D013696:Temperature; D014162:Transfection
D007473:Ion Channels; D008051:Lipid Bilayers; D046911:Macromolecular Substances; D008563:Membrane Lipids; D008565:Membrane Proteins; D013501:Surface-Active Agents; D004247:DNA