Evidence map›Paper›PMID 34357157›Full record

ArticleMembranes2021

Mutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments.

Nebojša Zec, Gaetano Mangiapia, Alex C Hendry, Robert Barker, Alexandros Koutsioubas, Henrich Frielinghaus, Mario Campana, José Luis Ortega-Roldan, Sebastian Busch, Jean-François Moulin

Abstract read
In one paragraph

Article in Membranes, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

4 citing papers in PubMed.

  1. Review
  2. Review
  3. Article
  4. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors.

Nebojša ZecGerman Engineering Materials Science Centre (GEMS) at Heinz Maier-Leibnitz Zentrum (MLZ), Helmholtz-Zentrum Hereon, Lichtenbergstr. 1, 85748 Garching bei München, Germany.ORCID 0000-0003-4824-7988
Gaetano MangiapiaGerman Engineering Materials Science Centre (GEMS) at Heinz Maier-Leibnitz Zentrum (MLZ), Helmholtz-Zentrum Hereon, Lichtenbergstr. 1, 85748 Garching bei München, Germany.ORCID 0000-0002-4743-3415
Alex C HendrySchool of Biosciences, University of Kent, Canterbury CT2 7NJ, UK.
Robert BarkerSchool of Physical Sciences, University of Kent, Canterbury CT2 7NH, UK.ORCID 0000-0002-8645-5385
Alexandros KoutsioubasJülich Centre for Neutron Science (JCNS) at Heinz Maier-Leibnitz Zentrum (MLZ), Forschungszentrum Jülich, Lichtenbergstr. 1, 85748 Garching bei München, Germany.ORCID 0000-0001-9417-5108
Henrich FrielinghausJülich Centre for Neutron Science (JCNS) at Heinz Maier-Leibnitz Zentrum (MLZ), Forschungszentrum Jülich, Lichtenbergstr. 1, 85748 Garching bei München, Germany.ORCID 0000-0002-8812-8783
Mario CampanaISIS Neutron and Muon Facility, Rutherford Appleton Laboratory, Science & Technology Facilities Council, Didcot OX11 0QX, UK.ORCID 0000-0002-2151-4110
José Luis Ortega-RoldanSchool of Biosciences, University of Kent, Canterbury CT2 7NJ, UK.ORCID 0000-0002-6316-4390
Sebastian BuschGerman Engineering Materials Science Centre (GEMS) at Heinz Maier-Leibnitz Zentrum (MLZ), Helmholtz-Zentrum Hereon, Lichtenbergstr. 1, 85748 Garching bei München, Germany.ORCID 0000-0002-9815-909X
Jean-François MoulinGerman Engineering Materials Science Centre (GEMS) at Heinz Maier-Leibnitz Zentrum (MLZ), Helmholtz-Zentrum Hereon, Lichtenbergstr. 1, 85748 Garching bei München, Germany.ORCID 0000-0003-2508-2607

Funding

Royal Society RGS\R1\191414Wellcome Trust 207743/Z/17/Z
6 · The paper itself

Abstract

We showcase the combination of experimental neutron scattering data and molecular dynamics (MD) simulations for exemplary phospholipid membrane systems. Neutron and X-ray reflectometry and small-angle scattering measurements are determined by the scattering length density profile in real space, but it is not usually possible to retrieve this profile unambiguously from the data alone. MD simulations predict these density profiles, but they require experimental control. Both issues can be addressed simultaneously by cross-validating scattering data and MD results. The strengths and weaknesses of each technique are discussed in detail with the aim of optimizing the opportunities provided by this combination.

Indexed as

molecular dynamics simulationsneutron reflectometryphospholipid membranescattering length density profilesmall-angle neutron scatteringsmall-angle X-ray scatteringX-ray reflectometry

Identifiers

PMID34357157
PMCPMC8304056

What OpenQuestion holds

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LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.