Adv Polym Sci (2014) 260: 237–284
DOI: 10.1007/12_2013_258
© Springer-Verlag Berlin Heidelberg 2013
Published online: 31 December 2013
Computational Studies of Biomembrane
Systems: Theoretical Considerations,
Simulation Models, and Applications
Markus Deserno, Kurt Kremer, Harald Paulsen, Christine Peter,
and Friederike Schmid
Abstract 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 lightharvesting 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?
M. Deserno (*)
Department of Physics, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, PA 15213,
USA
e-mail: deserno@andrew.cmu.edu
K. Kremer
Max-Planck-Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany
e-mail: kremer@mpip-mainz.mpg.de
H. Paulsen
Department of Biology, University of Mainz, Johannes-von-Mu ¨ller-Weg 6, 55128 Mainz,
Germany
e-mail: paulsen@uni-mainz.de
C. Peter
Department of Chemisty, University of Konstanz, Universita ¨tsstraße 10, 78457 Constance,
Germany
e-mail: christine.peter@uni-konstanz.de
F. Schmid
Institute of Physics, University of Mainz, Staudingerweg 9, 55128 Mainz, Germany
e-mail: schmid@uni-mainz.de
DOI: 10.1007/12_2013_258
© Springer-Verlag Berlin Heidelberg 2013
Published online: 31 December 2013
Computational Studies of Biomembrane
Systems: Theoretical Considerations,
Simulation Models, and Applications
Markus Deserno, Kurt Kremer, Harald Paulsen, Christine Peter,
and Friederike Schmid
Abstract 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 lightharvesting 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?
M. Deserno (*)
Department of Physics, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, PA 15213,
USA
e-mail: deserno@andrew.cmu.edu
K. Kremer
Max-Planck-Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany
e-mail: kremer@mpip-mainz.mpg.de
H. Paulsen
Department of Biology, University of Mainz, Johannes-von-Mu ¨ller-Weg 6, 55128 Mainz,
Germany
e-mail: paulsen@uni-mainz.de
C. Peter
Department of Chemisty, University of Konstanz, Universita ¨tsstraße 10, 78457 Constance,
Germany
e-mail: christine.peter@uni-konstanz.de
F. Schmid
Institute of Physics, University of Mainz, Staudingerweg 9, 55128 Mainz, Germany
e-mail: schmid@uni-mainz.de