
Nadine Schwierz Publications
Journal Article (16)
1.
Journal Article
RNA Captures More Cations than DNA: Insights from Molecular Dynamics Simulations. The Journal of Physical Chemistry B (2022)
2.
Journal Article
50 (10), pp. 5726 - 5739 (2022)
Twisting DNA by salt. Nucleic Acids Research (London) 3.
Journal Article
9, 826505 (2022)
Combining Coarse-Grained Simulations and Single Molecule Analysis Reveals a Three-State Folding Model of the Guanidine-II Riboswitch. Frontiers in Molecular Biosciences 4.
Journal Article
156 (11), 114501 (2022)
Magnesium force fields for OPC water with accurate solvation, ion-binding, and water-exchange properties: Successful transfer from SPC/E. The Journal of Chemical Physics 5.
Journal Article
18 (2), pp. 1202 - 1212 (2022)
Artificial Intelligence Resolves Kinetic Pathways of Magnesium Binding to RNA. Journal of Chemical Theory and Computation 6.
Journal Article
18 (1), pp. 526 - 537 (2022)
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 7.
Journal Article
13 (1), 85 (2022)
Cryo-EM demonstrates the in vitro proliferation of an ex vivo amyloid fibril morphology by seeding. Nature Communications 8.
Journal Article
155 (8), 084503 (2021)
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 9.
Journal Article
154 (17), 171102 (2021)
Extended magnesium and calcium force field parameters for accurate ion–nucleic acid interactions in biomolecular simulations. The Journal of Chemical Physics 10.
Journal Article
17 (4), pp. 2530 - 2540 (2021)
Optimized Magnesium Force Field Parameters for Biomolecular Simulations with Accurate Solvation, Ion-Binding, and Water-Exchange Properties. Journal of Chemical Theory and Computation 11.
Journal Article
152 (22), 224106 (2020)
Kinetic pathways of water exchange in the first hydration shell of magnesium. The Journal of Chemical Physics 12.
Journal Article
36 (21), pp. 5979 - 5989 (2020)
Hofmeister Series for Metal-Cation-RNA Interactions: The Interplay of Binding Affinity and Exchange Kinetics. Langmuir 13.
Journal Article
35 (17), pp. 5737 - 5745 (2019)
Ion-Specific and pH-Dependent Hydration of Mica-Electrolyte Interfaces. Langmuir 14.
Journal Article
122 (32), pp. 7915 - 7928 (2018)
Coarse-Grained Double-Stranded RNA Model from Quantum-Mechanical Calculations. The Journal of Physical Chemistry B 15.
Journal Article
148 (7), 074504 (2018)
Force fields for monovalent and divalent metal cations in TIP3P water based on thermodynamic and kinetic properties. The Journal of Chemical Physics 16.
Journal Article
121 (4), pp. 671 - 682 (2017)
From Aβ Filament to Fibril: Molecular Mechanism of Surface-Activated Secondary Nucleation from All-Atom MD Simulations. The Journal of Physical Chemistry B Thesis - PhD (1)
17.
Thesis - PhD
Metal Cations and Nucleic Acids: Accurate Force Fields and Atomistic Insights from Molecular Dynamics Simulations. Dissertation, 116 pp., Fachbereich Biochemie, Chemie und Pharmazie, Johann Wolfgang Goethe Universität, Frankfurt am Main (2022)
Thesis - Master (1)
18.
Thesis - Master
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)