Buchkapitel (7)

201.
Buchkapitel
Kubitzki, M. B.; de Groot, B. L.; Seeliger, D.: Protein dynamics: From structure to function. In: From protein structure to function with bioinformatics, S. 393 - 425 (Hg. Rigden, D. J.). Springer, Dordrecht (2017)
202.
Buchkapitel
Gapsys, V.; Michielssens, S.; Peters, J. H.; de Groot, B.; Leonov, H.: Calculation of binding free energies. In: Molecular Modeling of Proteins, S. 173 - 209 (Hg. Kukol, A.). Humana Pr.; Springer, New York, N.Y. (2015)
203.
Buchkapitel
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, S. 57 - 76 (Hg. Beitz, E.). Springer, Berlin (2009)
204.
Buchkapitel
Kubitzki, M. B.; de Groot, B. L.; Seeliger, D.: Protein dynamics: From structure to function. In: From Protein Structure to Function with Bioinformatics, S. 217 - 249 (Hg. Rigden, D.J.). Springer, Dordrecht (2009)
205.
Buchkapitel
Hayward, S.; de Groot, B. L.: Normal modes and essential dynamics. In: Molecular modeling of proteins, S. 89 - 106 (Hg. Kukol, A.). Humana Pr., Totowa, N. Y. (2008)
206.
Buchkapitel
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, S. 404 - 405 (Hg. Mohr, B.; Larsson, T. J.; Worringen, J.; Dongarra, J.). Springer, Berlin (2006)

Preprint (6)

207.
Preprint
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)
208.
Preprint
Wilson, C. J.; Gapsys, V.; de Groot, B. L.: Improving pKa prediction accuracy with reparametrized force fields and free energy calculations. ChemRxiv (2025)
209.
Preprint
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)
210.
Preprint
Vossel, M.; de Groot, B. L.; Godec, A.: The allosteric lever: towards a principle of specific allosteric response. arXiv (2023)
211.
Preprint
Eltzner, B.; Hofstadler, J.; Rudolf, D.; Habeck, M.; de Groot, B. L.: Bayesian Maximum Entropy Ensemble Refinement. bioRxiv (2023)
212.
Preprint
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)
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