Title: 144 NaK channel proteins in a DPPC membrane

Type Dataset Javanainen, Matti (2017): 144 NaK channel proteins in a DPPC membrane. Zenodo. Dataset. https://zenodo.org/record/240735

Author: Javanainen, Matti (TUT) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

144 NaK channels embedded in a DPPC membrane formed by 14400 lipid molecules simulated for 25 microseconds using the protein model by Sansom et al. [1,2] and the Martini lipid model [3]. The membrane is solvated by a total of 294163 water beads, counter ions, and a NaCl concentration of 154 mM. Files are compatible with Gromacs 4.6. and above.

[1] Peter Bond and Mark Sansom, Insertion and assembly of membrane proteins via simulation, J. Am. Chem. Soc., 2006, 128 (8), pp 2697–2704

[2] Kathryn A. Scott et al., Coarse-Grained MD Simulations of Membrane Protein-Bilayer Self-Assembly, Structure, 2008, 16 (4), pp 621–630

[3] Siewert J. Marrink et al., Coarse Grained Model for Semiquantitative Lipid Simulations, J. Phys. Chem. B, 2004, 108 (2), pp 750–760

More information

• DOI: 10.5281/zenodo.240735

Dates

• Publication date: 2017
• Issued: January 12, 2017

Rights

• https://creativecommons.org/licenses/by/4.0/legalcode Creative Commons Attribution 4.0 International
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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