Evidence map›Paper›PMID 33782607›Full record

ArticleNature methods2021

Martini 3: a general purpose force field for coarse-grained molecular dynamics.

Paulo C T Souza, Riccardo Alessandri, Jonathan Barnoud, Sebastian Thallmair, Ignacio Faustino, Fabian Grünewald, Ilias Patmanidis, Haleh Abdizadeh, Bart M H Bruininks, Tsjerk A Wassenaar and 16 more

Abstract read
In one paragraph

Article in Nature methods, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 642 papers.

0numbers the graph read from it
0cells of the map it votes in
642citing 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

642 citing papers in PubMed.

  1. Article
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  14. Antibody-drug conjugate engineering: from design to efficacy and safety.Signal transduction and targeted therapy · 2026
    Review
  15. Article
  16. Article
  17. Article
  18. Review
  19. Article
  20. Coarse-Graining Reshapes Knot Dynamics in Polymers and Proteins.The journal of physical chemistry. B · 2026
    Article

582 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

26 authors.

Paulo C T SouzaGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands. paulocts@gmail.com.ORCID http://orcid.org/0000-0003-0660-1301
Riccardo AlessandriGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.ORCID http://orcid.org/0000-0003-1948-5311
Jonathan BarnoudGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.
Sebastian ThallmairGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.ORCID http://orcid.org/0000-0002-3396-5840
Ignacio FaustinoGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.
Fabian GrünewaldGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.ORCID http://orcid.org/0000-0001-6979-1363
Ilias PatmanidisGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.
Haleh AbdizadehGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.
Bart M H BruininksGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.ORCID http://orcid.org/0000-0001-5136-0864
Tsjerk A WassenaarGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.
Peter C KroonGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.ORCID http://orcid.org/0000-0001-9273-4850
Josef MelcrGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.ORCID http://orcid.org/0000-0003-4729-3990
Vincent NietoMolecular Microbiology and Structural Biochemistry, UMR 5086 CNRS and University of Lyon, Lyon, France.
Valentina CorradiCentre for Molecular Simulation and Department of Biological Sciences, University of Calgary, Calgary, Alberta, Canada.ORCID http://orcid.org/0000-0001-6546-9780
Hanif M KhanCentre for Molecular Simulation and Department of Biological Sciences, University of Calgary, Calgary, Alberta, Canada.
Jan DomańskiDepartment of Biochemistry, University of Oxford, Oxford, UK.
Matti JavanainenInstitute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague, Czech Republic.ORCID http://orcid.org/0000-0003-4858-364X
Hector Martinez-SearaInstitute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague, Czech Republic.ORCID http://orcid.org/0000-0001-9716-1713
Nathalie ReuterDepartment of Chemistry and Computational Biology Unit, University of Bergen, Bergen, Norway.ORCID http://orcid.org/0000-0002-3649-7675
Robert B BestLaboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, USA.
Ilpo VattulainenComputational Physics Laboratory, Tampere University, Tampere, Finland.ORCID http://orcid.org/0000-0001-7408-3214
Luca MonticelliMolecular Microbiology and Structural Biochemistry, UMR 5086 CNRS and University of Lyon, Lyon, France.ORCID http://orcid.org/0000-0002-6352-4595
Xavier PerioleDepartment of Chemistry, Aarhus University, Aarhus C, Denmark.
D Peter TielemanCentre for Molecular Simulation and Department of Biological Sciences, University of Calgary, Calgary, Alberta, Canada.ORCID http://orcid.org/0000-0001-5507-0688
Alex H de VriesGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands.
Siewert J MarrinkGroningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Material, University of Groningen, Groningen, the Netherlands. s.j.marrink@rug.nl.

Funding

Understanding protein folding, evolution and function via molecular simulationZIADK075104 · NIDDK · NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES · PI BEST, ROBERT · 2013 to 2025
$13.7M
Intramural NIH HHS Z99 DK999999Intramural NIH HHS ZIA DK075104
6 · The paper itself

Abstract

The coarse-grained Martini force field is widely used in biomolecular simulations. Here we present the refined model, Martini 3 ( http://cgmartini.nl ), with an improved interaction balance, new bead types and expanded ability to include specific interactions representing, for example, hydrogen bonding and electronic polarizability. The updated model allows more accurate predictions of molecular packing and interactions in general, which is exemplified with a vast and diverse set of applications, ranging from oil/water partitioning and miscibility data to complex molecular systems, involving protein-protein and protein-lipid interactions and material science applications as ionic liquids and aedamers.

Indexed as

Molecular Dynamics SimulationHydrogen BondingLipid BilayersThermodynamicsLipid Bilayers

Identifiers

PMID33782607
PMCPMC12554258

What OpenQuestion holds

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Registered trials

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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.