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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

Fully hydrated bilayer of POPC and cholesterol (6.7 mol-%) at 298 K simulated using CHARMM36

Research datakeyboard_double_arrow_right Dataset 10 Jan 2026Publisher:Zenodo
Authors: Singh, Avneesh; Miettinen, Markus S.;

doi: 10.5281/zenodo.17867182 , 10.5281/zenodo.17867181

Fully hydrated bilayer of POPC and cholesterol (6.7 mol-%) at 298 K simulated using CHARMM36

Abstract

All-atom MD simulation trajectory of a POPC:CHOL (15:1) lipid bilayer. 30 POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) and 2 cholesterol (CHOL) molecules per leaflet. Simulated with GROMACS 2023.3 using the CHARMM36 force field as obtained from CHARMM-GUI on 08.12.2025. Temperature 298 K. Full hydration: 2832 molecules of CHARMM TIP3P water. The uploaded 200 ns trajectory, saved every 10 ps, was preceded by a 50 ns equilibration (not included in the upload); the included plot shows area-per-lipid over the whole 250 ns.

Related Organizations
Keywords

Cholesterol/chemistry, Molecular Dynamics Simulation, Lipid Bilayers/chemistry

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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
Average
Average
Average
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