R
Rainer A. Böckmann
Researcher at University of Erlangen-Nuremberg
Publications - 80
Citations - 5904
Rainer A. Böckmann is an academic researcher from University of Erlangen-Nuremberg. The author has contributed to research in topics: Lipid bilayer & Membrane. The author has an hindex of 30, co-authored 74 publications receiving 4916 citations. Previous affiliations of Rainer A. Böckmann include Max Planck Society & Saarland University.
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Journal ArticleDOI
Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations
Tsjerk A. Wassenaar,Tsjerk A. Wassenaar,Helgi I. Ingólfsson,Rainer A. Böckmann,D. Peter Tieleman,Siewert J. Marrink +5 more
TL;DR: A comprehensive method for building membrane containing systems, characterized by simplicity and versatility, and a survey of properties for a large range of lipids as a start of a computational lipidomics project.
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Going Backward : A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models
Tsjerk A. Wassenaar,Kristyna Pluhackova,Rainer A. Böckmann,Siewert J. Marrink,D. Peter Tieleman +4 more
TL;DR: The focus of this work is on the coarse-grained MARTINI force field, for which mapping definitions are written to allow conversion to and from the higher-resolution force fields GROMOS, CHARMM, and AMBER, and to andFrom a simplified three-bead lipid model.
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Effect of Sodium Chloride on a Lipid Bilayer
TL;DR: Sodium binding alters the electrostatic potential, which is largely compensated by a changed polarization of the aqueous medium and a lipid dipole reorientation, suggesting that most of the relaxation processes relevant for lipid diffusion are faster than the simulation timescale.
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Optimization of the OPLS-AA Force Field for Long Hydrocarbons.
TL;DR: It is shown that the optimized parameter set (L-OPLS) yields improved hydrocarbon diffusion coefficients, viscosities, and gauche-trans ratios, and its applicability for lipid bilayer simulations is shown for a GMO bilayer in its liquid-crystalline phase.
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Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations.
TL;DR: A statistical theory is developed to facilitate direct comparison of experimental prepore formation kinetics with the (single event) preporation times derived from the simulations, which also allows us to extract an effective number of lipids involved in each pore formation event.