Research

Publications
  1. Protein-ligand binding with the coarse-grained Martini model

    Souza, P. C. T., Thallmair, S., Conflitti, P., Ramírez-Palacios, C., Alessandri, R., Raniolo, S., Limongelli, V. & Marrink, S. J., 24-Jul-2020, In : Nature Communications. 11, 1, 11 p., 3714.

    Research output: Contribution to journalArticleAcademicpeer-review

  2. Molecular dynamics simulations in photosynthesis

    Liguori, N., Croce, R., Marrink, S. J. & Thallmair, S., 15-Apr-2020, In : Photosynthesis Research. 23 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  3. Capturing Choline–Aromatics Cation−π Interactions in the MARTINI Force Field

    Khan, H. M., Telles de Souza, P. C., Thallmair, S., Barnoud, J., De Vries, A. H., Marrink, S. J. & Reuter, N., May-2020, In : Journal of Chemical Theory and Computation. 16, 4, p. 2550-2560 11 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  4. Unidirectional rotating molecular motors dynamically interact with adsorbed proteins to direct the fate of mesenchymal stem cells

    Zhou, Q., Chen, J., Luan, Y., Vainikka, P. A., Thallmair, S., Marrink, S. J., Feringa, B. L. & van Rijn, P., Jan-2020, In : Science Advances. 6, 5, 14 p., eaay2756.

    Research output: Contribution to journalArticleAcademicpeer-review

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