Author

Magdalena Szczuka

Centre National de la Recherche ScientifiqueORCID 0009-0001-8044-540XUnclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 2

Signature Assays, Organisms & Methods

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Research Focus:database / resource· 1 Approach:experimental assay· 1 Research Focus:software / tool· 1 Approach:statistical model· 1

Frequent Co-Authors

Matthieu G. ChaventiD· 2 shared Pierre PoulainiD· 2 shared Erik R. LindahliD· 1 shared Gilberto P. PereiraiD· 1 shared Johanna K. S. TiemanniD· 1 shared Kresten Lindorff‐LarseniD· 1 shared Lisa BouarroudjiD· 1 shared Lucie DelemotteiD· 1 shared

Activity by Year

2023-2025 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 33 mutual co-author links

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2 shared papersBioinformatics

Matthieu G. ChaventORCID

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2 papers

Recent·Most cited

BioinformaticsbioRxivPreprintJul 13, 2025

Fast parameterization of Martini3 models for fragments and small molecules

Magdalena Szczuka, Gilberto P. Pereira, Luis J. Walter…·Matthieu G. Chavent

The paper introduces Auto-MartiniM3, a tool for automating the coarse-graining of small molecules for Martini 3 simulations, validated on 81 molecules and complex cases like caffeine.

2 citations

experimental assaysoftware / tool

𝕏 PostBluesky

BioinformaticseLifePeer-reviewedSep 20, 2023

MDverse: Shedding Light on the Dark Matter of Molecular Dynamics Simulations

Johanna K. S. Tiemann, Magdalena Szczuka, Lisa Bouarroudj…·Pierre Poulain

The paper indexes and analyzes 250,000 molecular dynamics simulation files to create a search engine prototype for MD data.

21 citationstop 4%

statistical modeldatabase / resource

𝕏 PostBluesky