Search results
Results: 36
Number of items: 36
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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 -
Kanekal, K. H., Rudzinski, J. F., & Bereau, T. (2022). Broad chemical transferability in structure-based coarse-graining. Journal of Chemical Physics, 157(10), Article 104102. https://doi.org/10.1063/5.0104914
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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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Kleinwächter, I. S., Pannwitt, S., Centi, A., Hellmann, N., Thines, E., Bereau, T., & Schneider, D. (2021). The Bacteriostatic Activity of 2-Phenylethanol Derivatives Correlates with Membrane Binding Affinity. Membranes, 11(4), Article 254. https://doi.org/10.3390/membranes11040254
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Dutta, A., Vreeken, J., Ghiringhelli, L. M., & Bereau, T. (2021). Data-driven equation for drug-membrane permeability across drugs and membranes. Journal of Chemical Physics, 154(24), Article 244114. https://doi.org/10.1063/5.0053931
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Girard, M., & Bereau, T. (2021). Computer simulations of lipid regulation by molecular semigrand canonical ensembles. Biophysical Journal, 120(12), 2370-2373. https://doi.org/10.1016/j.bpj.2021.04.025
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Bause, M., & Bereau, T. (2021). Reweighting non-equilibrium steady-state dynamics along collective variables. Journal of Chemical Physics, 154(13), Article 134105. https://doi.org/10.1063/5.0042972
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Rudzinski, J. F., Kloth, S., Wörner, S., Pal, T., Kremer, K., Bereau, T., & Vogel, M. (2021). Dynamical properties across different coarse-grained models for ionic liquids. Journal of Physics Condensed Matter, 33(22), Article 224001. https://doi.org/10.1088/1361-648X/abe6e1
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Girard, M., & Bereau, T. (2021). Finite-size transitions in complex membranes. Biophysical Journal, 120(12), 2436-2443. https://doi.org/10.1016/j.bpj.2021.03.043
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