Computational Studies of Biomembrane Systems: Theoretical Considerations, Simulation Models, and Applications

被引：19

作者：

Deserno, Markus ^{[1
]}

Kremer, Kurt ^{[2
]}

Paulsen, Harald ^{[3
]}

Peter, Christine ^{[4
]}

Schmid, Friederike ^{[5
]}

机构：

[1] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA

[2] Max Planck Inst Polymer Res, D-55128 Mainz, Germany

[3] Johannes Gutenberg Univ Mainz, Dept Biol, D-55128 Mainz, Germany

[4] Univ Konstanz, Dept Chem, D-78457 Constance, Germany

[5] Johannes Gutenberg Univ Mainz, Inst Phys, D-55128 Mainz, Germany

来源：

FROM SINGLE MOLECULES TO NANOSCOPICALLY STRUCTURED MATERIALS | 2014年 / 260卷

关键词：

Coarse graining; Curvature elasticity; Lipid bilayer; Mediated interactions; Multiscaling; Simulation; MOLECULAR-DYNAMICS SIMULATIONS; MEMBRANE-MEDIATED INTERACTIONS; INDUCED BILAYER DEFORMATIONS; PROTEIN-PROTEIN INTERACTIONS; LIGHT-HARVESTING COMPLEX; CHLOROPHYLL-A/B-COMPLEX; COARSE-GRAINED MODEL; HETEROGENEOUS FLUID MEMBRANES; GAUSSIAN CURVATURE MODULUS; STRESS-FREE MEMBRANES;

D O I：

10.1007/12_2013_258

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

This chapter summarizes several approaches combining theory, simulation, and experiment that aim for a better understanding of phenomena in lipid bilayers and membrane protein systems, covering topics such as lipid rafts, membrane-mediated interactions, attraction between transmembrane proteins, and aggregation in biomembranes leading to large superstructures such as the light-harvesting complex of green plants. After a general overview of theoretical considerations and continuum theory of lipid membranes we introduce different options for simulations of biomembrane systems, addressing questions such as: What can be learned from generic models? When is it expedient to go beyond them? And, what are the merits and challenges for systematic coarse graining and quasi-atomistic coarse-grained models that ensure a certain chemical specificity?

引用

页码：237 / 283

页数：47

共 319 条

[1] On the origin of sphingolipid/cholesterol-rich detergent-insoluble cell membranes: Physiological concentrations of cholesterol and sphingolipid induce formation of a detergent-insoluble, liquid-ordered lipid phase in model membranes [J].