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Results: 36
Number of items: 36
  • Kaygisiz, K., Dutta, A., Rauch-Wirth, L., Synatschke, C. V., Münch, J., Bereau, T., Weil, T., & Dutta, A. (2023, March 8). Inverse design of viral infectivity-enhancing peptide fibrils from continuous protein-vector embeddings [Data set]. Zenodo. https://doi.org/10.5281/zenodo.7708290
  • Mohr, B., van der Mast, D., & Bereau, T. (2023, February 14). Supporting data for: Condensed-phase molecular representation to link structure and thermodynamics in molecular dynamics [Data set]. Zenodo. https://doi.org/10.5281/zenodo.7639223
  • Open Access
    Ghiringhelli, L. M., Baldauf, C., Bereau, T., Brockhauser, S., Carbogno, C., Chamanara, J., Cozzini, S., Curtarolo, S., Draxl, C., Dwaraknath, S., Fekete, Á., Kermode, J., Koch, C. T., Kühbach, M., Ladines, A. N., Lambrix, P., Himmer, M. O., Levchenko, S. V., Oliveira, M., ... Scheffler, M. (2023). Shared metadata for data-centric materials science. Scientific Data, 10, Article 626. https://doi.org/10.1038/s41597-023-02501-8
  • Open Access
    Mohr, B., van der Mast, D., & Bereau, T. (2023). Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics. Journal of Chemical Theory and Computation, 19(14), 4770-4779. https://doi.org/10.1021/acs.jctc.3c00201
  • Open Access
    Girard, M., & Bereau, T. (2023). Induced asymmetries in membranes. Biophysical Journal, 122(11), 2092-2098. https://doi.org/10.1016/j.bpj.2022.12.004
  • Open Access
    Mohr, B. J. (2023). Coarse-grained modeling for molecular discovery: Applications to cardiolipin-selectivity. [Thesis, fully internal, Universiteit van Amsterdam].
  • Kanekal, K. H., Rudzinski, J. F., & Bereau, T. (2022). Dataset for "Broad chemical transferability in structure-based coarse-graining" [Data set]. Zenodo. https://doi.org/10.5281/zenodo.6032826
  • Open Access
    Kleinwächter, I., Mohr, B., Joppe, A., Hellmann, N., Bereau, T., Osiewacz, H. D., & Schneider, D. (2022). CLiB - a novel cardiolipin-binder isolated via data-driven and in vitro screening. RSC Chemical Biology, 3(7), 941-954. https://doi.org/10.1039/d2cb00125j
  • Open Access
    Stieffenhofer, M., Scherer, C., May, F., Bereau, T., & Andrienko, D. (2022). Benchmarking coarse-grained models of organic semiconductors via deep backmapping. Frontiers in Chemistry, 10, Article 982757. https://doi.org/10.3389/fchem.2022.982757
  • Scheffler, M., Aeschlimann, M., Albrecht, M., Bereau, T., Bungartz, H.-J., Felser, C., Greiner, M., Groß, A., Koch, C. T., Kremer, K., Nagel, W. E., Scheidgen, M., Wöll, C., & Draxl, C. (2022). FAIR data enabling new horizons for materials research. Nature, 604(7907), 635-642. https://doi.org/10.1038/s41586-022-04501-x
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