Nadine Schwierz: Statistical Physics and Computer Simulations – Research Group Publications

Journal Article (11)

2022
Journal Article
Heerde, T.; Rennegarbe, M.; Biedermann, A.; Savran, D.; Pfeiffer, P. B.; Hitzenberger, M.; Baur, J.; Puscalau-Girtu, I.; Zacharias, M.; Schwierz, N. et al.; Haupt, C.; Schmidt, M.; Fändrich, M.: Cryo-EM demonstrates the in vitro proliferation of an ex vivo amyloid fibril morphology by seeding. Nature Communications 13 (1), 85 (2022)
2021
Journal Article
Grotz, K. K.; Schwierz, N.: Optimized Magnesium Force Field Parameters for Biomolecular Simulations with Accurate Solvation, Ion-Binding, and Water-Exchange Properties in SPC/E, TIP3P-fb, TIP4P/2005, TIP4P-Ew, and TIP4P-D. Journal of Chemical Theory and Computation (2021)
Journal Article
Falkner, S.; Schwierz, N.: Kinetic pathways of water exchange in the first hydration shell of magnesium: Influence of water model and ionic force field. The Journal of Chemical Physics 155 (8), 084503 (2021)
Journal Article
Cruz-León, S.; Grotz, K. K.; Schwierz, N.: Extended magnesium and calcium force field parameters for accurate ion–nucleic acid interactions in biomolecular simulations. The Journal of Chemical Physics 154 (17), 171102 (2021)
Journal Article
Grotz, K. K.; Cruz-León, S.; Schwierz, N.: Optimized Magnesium Force Field Parameters for Biomolecular Simulations with Accurate Solvation, Ion-Binding, and Water-Exchange Properties. Journal of Chemical Theory and Computation 17 (4), pp. 2530 - 2540 (2021)
2020
Journal Article
Schwierz, N.: Kinetic pathways of water exchange in the first hydration shell of magnesium. The Journal of Chemical Physics 152 (22), 224106 (2020)
Journal Article
Cruz-León, S.; Schwierz, N.: Hofmeister Series for Metal-Cation-RNA Interactions: The Interplay of Binding Affinity and Exchange Kinetics. Langmuir 36 (21), pp. 5979 - 5989 (2020)
2019
Journal Article
van Lin, S. R.; Grotz, K. K.; Siretanu, I.; Schwierz, N.; Mugele, F.: Ion-Specific and pH-Dependent Hydration of Mica-Electrolyte Interfaces. Langmuir 35 (17), pp. 5737 - 5745 (2019)
2018
Journal Article
Cruz-León, S.; Vázquez-Mayagoitia, A.; Melchionna, S.; Schwierz, N.; Fyta, M.: Coarse-Grained Double-Stranded RNA Model from Quantum-Mechanical Calculations. The Journal of Physical Chemistry B 122 (32), pp. 7915 - 7928 (2018)
Journal Article
Mamatkulov, S.; Schwierz, N.: Force fields for monovalent and divalent metal cations in TIP3P water based on thermodynamic and kinetic properties. The Journal of Chemical Physics 148 (7), 074504 (2018)
2017
Journal Article
Schwierz, N.; Frost, C. V.; Geissler, P. L.; Zacharias, M.: From Aβ Filament to Fibril: Molecular Mechanism of Surface-Activated Secondary Nucleation from All-Atom MD Simulations. The Journal of Physical Chemistry B 121 (4), pp. 671 - 682 (2017)

Thesis - Master (1)

2017
Thesis - Master
Grotz, K. K.: Conformational Dynamics of Single-Stranded Nucleic Acids - A Comparison of Molecular Dynamics Simulations to Single-Molecule FRET Experiments. Master, 102 pp., Goethe-Universität Frankfurt, Fachbereich Physik, Frankfurt am Main (2017)
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