B.J. (Bernadette) Mohr
Faculteit der Natuurwetenschappen, Wiskunde en Informatica
Van 't Hoff Institute for Molecular Sciences
Bezoekadres
- Science Park 904
Postadres
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Postbus 94157
1090 GD Amsterdam
Contactgegevens
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Publicaties
2024
Mohr, B., van Heesch, T., Pérez de Alba Ortíz, A., & Vreede, J. (2024). Enhanced sampling strategies for molecular simulation of DNA. Wiley interdisciplinary reviews. Computational molecular science , 14(2), Article e1712. https://doi.org/10.1002/wcms.1712 [details]
2023
- 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 [details]
2022
- 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 [details]
- Mohr, B., Shmilovich, K., Kleinwächter, I. S., Schneider, D., Ferguson, A. L., & Bereau, T. (2022). Data-driven discovery of cardiolipin-selective small molecules by computational active learning. Chemical Science, 13(16), 4498-4511. https://doi.org/10.1039/d2sc00116k [details]
2024
- Mohr, B. J., Vreede, J., de Alba Ortíz, A. & van Heesch, T. (21-3-2024). WIRES - Enhanced sampling strategies for the molecular simulation of DNA. Universiteit van Amsterdam. https://doi.org/10.21942/uva.24745611.v3
2023
- Mohr, B., van der Mast, D. & Bereau, T. (14-2-2023). Supporting data for: Condensed-phase molecular representation to link structure and thermodynamics in molecular dynamics. Zenodo. https://doi.org/10.5281/zenodo.7639223
2021
- Mohr, B., Shmilovich, K., Kleinwächter, I., Schneider, D., Ferguson, A. L. & Bereau, T. (2021). Supporting data for: "Data-driven discovery of cardiolipin-selective small molecules by computational active learning". Zenodo. https://doi.org/10.5281/zenodo.5507578
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Nevenwerkzaamheden
Geen nevenwerkzaamheden
Mohr, B., van Heesch, T., Pérez de Alba Ortíz, A., & Vreede, J. (2024). Enhanced sampling strategies for molecular simulation of DNA. Wiley interdisciplinary reviews. Computational molecular science , 14(2), Article e1712.