Search results
Results: 8
Number of items: 8
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Mohr, B. J., Vreede, J., Pérez de Alba Ortíz, A., & van Heesch, T. (2024, March 21). WIRES - Enhanced sampling strategies for the molecular simulation of DNA [Data set]. Universiteit van Amsterdam. https://doi.org/10.21942/uva.24745611.v3
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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 -
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
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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
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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
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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
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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" [Data set]. Zenodo. https://doi.org/10.5281/zenodo.5507578
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