Search results
Results: 36
Number of items: 36
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Stieffenhofer, M., Wand, M., & Bereau, T. (2020). Adversarial reverse mapping of equilibrated condensed-phase molecular structures. Machine Learning: Science and Technology, 1(4), Article 045014. https://doi.org/10.1088/2632-2153/abb6d4 -
Barnett, J. W., Bilchak, C. R., Wang, Y., Benicewicz, B. C., Murdock, L. A., Bereau, T., & Kumar, S. K. (2020). Designing exceptional gas-separation polymer membranes using machine learning. Science Advances, 6(20), Article eaaz4301. https://doi.org/10.1126/sciadv.aaz4301
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Girard, M., & Bereau, T. (2020). Regulating Lipid Composition Rationalizes Acyl Tail Saturation Homeostasis in Ectotherms. Biophysical Journal, 119(5), 892-899. https://doi.org/10.1016/j.bpj.2020.07.024
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Hoffmann, C., Centi, A., Menichetti, R., & Bereau, T. (2020). Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations. Scientific Data, 7, Article 51. https://doi.org/10.1038/s41597-020-0391-0
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Rauer, C., & Bereau, T. (2020). Hydration free energies from kernel-based machine learning: Compound-database bias. Journal of Chemical Physics, 153(1), Article 014101. https://doi.org/10.1063/5.0012230
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Morsbach, S., Gonella, G., Mailänder, V., Wegner, S., Wu, S., Weidner, T., Berger, R., Koynov, K., Vollmer, D., Encinas, N., Kuan, S. L., Bereau, T., Kremer, K., Weil, T., Bonn, M., Butt, H.-J., & Landfester, K. (2018). Engineering Proteins at Interfaces: From Complementary Characterization to Material Surfaces with Designed Functions. Angewandte Chemie - International Edition, 57(39), 12626-12648. https://doi.org/10.1002/anie.201712448
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