Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

For simulations of membranes and membrane proteins, the generation of the lipid bilayer is a critical step in the setup of the system. Membranes comprising multiple components pose a particular challenge, because the relative abundances need to be controlled and the equilibration of the system may t...

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Veröffentlicht in:	Journal of chemical theory and computation 2015-05, Vol.11 (5), p.2144-2155
Hauptverfasser:	Wassenaar, Tsjerk A, Ingólfsson, Helgi I, Böckmann, Rainer A, Tieleman, D. Peter, Marrink, Siewert J
Format:	Artikel
Sprache:	eng
Schlagworte:	Gangliosides - chemistry Lipid Bilayers - chemistry Lipid Bilayers - metabolism Membrane Proteins - chemistry Membrane Proteins - metabolism Molecular Dynamics Simulation Phosphatidylcholines - chemistry
Online-Zugang:	Volltext
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