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Results: 8,080
Number of items: 8,080
  • Open Access
    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
  • Open Access
    Brotzakis, Z. F., Vendruscolo, M., & Bolhuis, P. G. (2021). A method of incorporating rate constants as kinetic constraints in molecular dynamics simulations. Proceedings of the National Academy of Sciences of the United States of America, 118(2), Article e2012423118. https://doi.org/10.1073/pnas.2012423118
  • Open Access
    Gitis, V., & Rothenberg, G. (2021). The Basics. In V. Gitis, & G. Rothenberg (Eds.), Handbook of Porous Materials: Synthesis, Properties, Modeling and Key Applications (Vol. 1, pp. 1-147). (Materials and Energy; Vol. 16). World Scientific. https://doi.org/10.1142/9789811223389_0001
  • Open Access
    Pulcinella, A., Mazzarella, D., & Noel, T. (2021). Homogeneous catalytic C(sp3)-H functionalization of gaseous alkanes. Chemical Communications, 57(78), 9956-9967. https://doi.org/10.1039/d1cc04073a
  • Open Access
    Pérez de Alba Ortíz, A. (2021). Traversing the free-energy pathways of intricate biomolecular processes: Enhanced simulation development and applications. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    Bobylev, E. O., de Bruin, B., & Reek, J. N. H. (2021). Catalytic Formation of Coordination-Based Self-Assemblies by Halide Impurities. Inorganic Chemistry, 60(16), 12498-12505. https://doi.org/10.1021/acs.inorgchem.1c01714
  • Open Access
    Roeters, S. J., Golbek, T. W., Bregnhøj, M., Drace, T., Alamdari, S., Roseboom, W., Kramer, G., Šantl-Temkiv, T., Finster, K., Pfaendtner, J., Woutersen, S., Boesen, T., & Weidner, T. (2021). Ice-nucleating proteins are activated by low temperatures to control the structure of interfacial water. Nature Communications, 12, Article 1183. https://doi.org/10.1038/s41467-021-21349-3
  • Open Access
    Schulze, B., van Herwerden, D., Allan, I., Bijlsma, L., Etxebarria, N., Hansen, M., Merel, S., Vrana, B., Aalizadeh, R., Bajema, B., Dubocq, F., Coppola, G., Fildier, A., Fialová, P., Frøkjær, E., Grabic, R., Gago-Ferrero, P., Gravert, T., Hollender, J., ... Samanipour, S. (2021). Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis. Scientific Data, 8, Article 223. https://doi.org/10.1038/s41597-021-01002-w
  • Open Access
    Sinha, V., Sun, D., Meijer, E. J., Vlugt, T. J. H., & Bieberle-Hütter, A. (2021). A multiscale modelling approach to elucidate the mechanism of the oxygen evolution reaction at the hematite-water interface. Faraday Discussions, 229, 89-107. https://doi.org/10.1039/c9fd00140a
  • Open Access
    Hempel, T., del Razo, M., Lee, C. T., Taylor, B. C., Amaro, R. E., & Noé, F. (2021). Independent Markov decomposition: Toward modeling kinetics of biomolecular complexes. Proceedings of the National Academy of Sciences of the United States of America, 118(31), Article e2105230118. https://doi.org/10.1073/pnas.2105230118
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