RG de Groot (Computational Biomolecular Dynamics)

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  • 2023 | Preprint
    ​ ​Bayesian Maximum Entropy Ensemble Refinement​
    Eltzner, B.; Hofstadler, J.; Rudolf, D.; Habeck, M.& de Groot, B. ​ (2023). DOI: https://doi.org/10.1101/2023.09.12.557310 
    ​Details  DOI 
  • 2022 | Preprint
    ​ ​The 3D structure of lipidic fibrils of α-synuclein​
    Frieg, B.; Antonschmidt, L.; Dienemann, C.; Geraets, J. A.; Najbauer, E. E.; Matthes, D.& de Groot, B. L.  et al.​ (2022). DOI: https://doi.org/10.1101/2022.03.02.481946 
    ​Details  DOI 
  • 2022 | Journal Article | Research Paper
    ​ ​Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case​
    Wieczór, M.; Genna, V.; Aranda, J.; Badia, R. M.; Gelpí, J. L.; Gapsys, V.   & de Groot, B. L.  et al.​ (2022) 
    Wiley Interdisciplinary Reviews. Computational Molecular Science,.​ DOI: https://doi.org/10.1002/wcms.1622 
    ​Details  DOI 
  • 2022 | Journal Article | 
    ​ ​The 3D structure of lipidic fibrils of α-synuclein​
    Frieg, B.; Antonschmidt, L.; Dienemann, C.; Geraets, J. A.; Najbauer, E. E.; Matthes, D. & de Groot, B. L.  et al.​ (2022) 
    Nature Communications, 13(1).​ DOI: https://doi.org/10.1038/s41467-022-34552-7 
    ​Details  DOI  PMID  PMC 

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