Search results
Results: 36
Number of items: 36
-
Mondal, P., Cazade, P.-A., Das, A. K., Bereau, T., & Meuwly, M. (2021). Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer. Journal of Physical Chemistry B, 125(39), 10928-10938. https://doi.org/10.1021/acs.jpcb.1c05423 -
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
-
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
-
Centi, A., Dutta, A., Parekh, S. H., & Bereau, T. (2020). Inserting Small Molecules across Membrane Mixtures: Insight from the Potential of Mean Force. Biophysical Journal, 118(6), 1321-1332. https://doi.org/10.1016/j.bpj.2020.01.039
-
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
-
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
-
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
-
Varolgünes, Y. B., Bereau, T., & Rudzinski, J. F. (2020). Interpretable embeddings from molecular simulations using Gaussian mixture variational autoencoders. Machine Learning: Science and Technology, 1(1), Article 015012. https://doi.org/10.1088/2632-2153/ab80b7
-
Liu, C., Brandenburg, J. G., Valsson, O., Kremer, K., & Bereau, T. (2020). Free-energy landscape of polymer-crystal polymorphism. Soft Matter, 16(42), 9683-9692. https://doi.org/10.1039/d0sm01342k
Page 3 of 4