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ZENODO
Dataset . 2026
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
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Claim

MD simulation trajectory and related files for DPPC lipid bilayer in full hydration at 322 K

Research datakeyboard_double_arrow_right Dataset 04 Jun 2026 English Publisher:Zenodo
Authors: Floen, Stine; Miettinen, Markus S.;

doi: 10.5281/zenodo.20524112 , 10.5281/zenodo.20524111

MD simulation trajectory and related files for DPPC lipid bilayer in full hydration at 322 K

Abstract

A MD simulation of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) conducted as part of a bachelor's project. Simulation ran with Gromacs 2026.1, CHARMM36 force field (as obtained from CHARMM-GUI on 17.04.2026) in full hydration. T= 322 K, 40 DPPC (20 per leaflet) molecules, 1645 TIP3P (Charmm) waters. The uploaded 100 ns trajectory was saved every 10 ps. We recommend discarding the first 20 ns to guarantee equilibration, see the attached plot time_ApL.png.

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Keywords

lipid bilayers, DPPC, Molecular Dynamics Simulation, 1,2-dipalmitoyl-sn-glycero-3-phosphocholine

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
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