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ZENODO
Dataset . 2023
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2023
License: CC BY
Data sources: Datacite
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Claim

All-atomic simulation of POPE bilayer with RFZ

Research datakeyboard_double_arrow_right Dataset 12 Oct 2023 English Publisher:Zenodo
Authors: Nesterenko Alexey; Miettinen, Markus S.;

doi: 10.5281/zenodo.8435137 , 10.5281/zenodo.8435138

All-atomic simulation of POPE bilayer with RFZ

Abstract

We have performed simulations of POPE to check if the reaction-field-zero mode of calculating electrostatics is a good substitute for PME if we want to avoid PME for some reasons (e.g. for stress calculations). We started this simulation from the configuration deposited by Matti Javanainen (10.5281/zenodo.2641987). We performed the simulation of about 500 ns with the reaction-field-zero protocol supplemented as well. DMPC simulated with the same RFZ protocol is deposited in a separate dataset (10.5281/zenodo.8431709).

Related Organizations
Keywords

NMRlipids, reaction field, GROMACS, MD simulation, PME, lipid bilayer

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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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