Lange, O.; Grubmueller, H.; de Groot, B. L.: Molecular dynamics simulations of protein G challenge NMR-derived correlated backbone motions. Angewandte Chemie-International Edition 44 (22), pp. 3394 - 3399 (2005)

de Groot, B. L.; Grubmueller, H.: Aquaporine: Die perfekten Wasserfilter der Zelle. Biospektrum 10 (4), pp. 384 - 386 (2004)

Aldeghi, M.; de Groot, B. L.; Gapsys, V.: Accurate calculation of free energy changes upon amino acid mutation. In: Computational Methods in Protein Evolution, pp. 19 - 47 (Ed. Sikosek, T.). Springer Nature, New York (2019)

Kubitzki, M. B.; de Groot, B. L.; Seeliger, D.: Protein dynamics: From structure to function. In: From protein structure to function with bioinformatics, pp. 393 - 425 (Ed. Rigden, D. J.). Springer, Dordrecht (2017)

Gapsys, V.; Michielssens, S.; Peters, J. H.; de Groot, B.; Leonov, H.: Calculation of binding free energies. In: Molecular Modeling of Proteins, pp. 173 - 209 (Ed. Kukol, A.). Humana Pr.; Springer, New York, N.Y. (2015)

Hub, J.; Grubmuller, H.; de Groot, B. L.: Dynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations? In: Aquaporins, pp. 57 - 76 (Ed. Beitz, E.). Springer, Berlin (2009)

Kubitzki, M. B.; de Groot, B. L.; Seeliger, D.: Protein dynamics: From structure to function. In: From Protein Structure to Function with Bioinformatics, pp. 217 - 249 (Ed. Rigden, D.J.). Springer, Dordrecht (2009)

Hayward, S.; de Groot, B. L.: Normal modes and essential dynamics. In: Molecular modeling of proteins, pp. 89 - 106 (Ed. Kukol, A.). Humana Pr., Totowa, N. Y. (2008)

Kutzner, C.; van der Spoel, D.; Fechner, M.; Lindahl, E.; Schmitt, U. W.; de Groot, B. L.; Grubmueller, H.: Improved GROMACS scaling on ethernet switched clusters. In: Recent advances in parallel virtual machine and message passing interface. 13th European PVM/MPI User`s Group meeting, Bonn, Germany, September 17-20, 2006, pp. 404 - 405 (Eds. Mohr, B.; Larsson, T. J.; Worringen, J.; Dongarra, J.). Springer, Berlin (2006)

Hui, C.; de Vries, R.; Kopec, W.; de Groot, B. L.: Effective Polarization in Potassium Channel Simulations: Ion Conductance, Occupancy, Voltage Response, and Selectivity. bioRxiv (2025)

Wilson, C. J.; Gapsys, V.; de Groot, B. L.: Improving pKa prediction accuracy with reparametrized force fields and free energy calculations. ChemRxiv (2025)

Griesinger, C.; Sant, V.; Matthes, D.; Mazal, H.; Antonschmidt, L.; Wieser, F.; Tekwani Movellan, K.; Xue, K.; Nimerovsky, E.; Stampolaki, M. et al.; Nathan, M.; Riedel, D.; Becker, S.; Sandoghdar, V.; de Groot, B. L.; Andreas, L. B.: Lipidic folding pathway of α-Synuclein via a toxic oligomer. Research Square (2024)

Vossel, M.; de Groot, B. L.; Godec, A.: The allosteric lever: towards a principle of specific allosteric response. arXiv (2023)

Eltzner, B.; Hofstadler, J.; Rudolf, D.; Habeck, M.; de Groot, B. L.: Bayesian Maximum Entropy Ensemble Refinement. bioRxiv (2023)

Wiechers, H.; Zobel, M.; Bennati, M.; Tkach, I.; Eltzner, B.; Huckemann, S.; Pokern, Y.: Drift Models on Complex Projective Space for Electron-Nuclear Double Resonance. arXiv (2023)