Publications of Nadine Schwierz

Ibrahim, M.; Wenzel, C.; Lallemang, M.; Balzer, B. N.; Schwierz, N.: Adsorbing DNA to Mica by Cations: Influence of Valency and Ion Type. Langmuir 39 (44), pp. 15553 - 15562 (2023)

Ibrahim, M.; Gilbert, J.; Heinz, M.; Nylander, T.; Schwierz, N.: Structural insights on ionizable Dlin-MC3-DMA lipids in DOPC layers by combining accurate atomistic force fields, molecular dynamics simulations and neutron reflectivity. Nanoscale 15 (27), pp. 11647 - 11656 (2023)

Cruz-León, S.; Schwierz, N.: RNA Captures More Cations than DNA: Insights from Molecular Dynamics Simulations. The Journal of Physical Chemistry B (2022)

Cruz-León, S.; Vanderlinden, W.; Müller, P.; Forster, T.; Staudt, G.; Lin, Y.-Y.; Lipfert, J.; Schwierz, N.: Twisting DNA by salt. Nucleic Acids Research (London) 50 (10), pp. 5726 - 5739 (2022)

Fuks, C.; Falkner, S.; Schwierz, N.; Hengesbach, M.: Combining Coarse-Grained Simulations and Single Molecule Analysis Reveals a Three-State Folding Model of the Guanidine-II Riboswitch. Frontiers in Molecular Biosciences 9, 826505 (2022)

Grotz, K. K.; Schwierz, N.: 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 156 (11), 114501 (2022)

Neumann, J.; Schwierz, N.: Artificial Intelligence Resolves Kinetic Pathways of Magnesium Binding to RNA. Journal of Chemical Theory and Computation 18 (2), pp. 1202 - 1212 (2022)

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 18 (1), pp. 526 - 537 (2022)

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)

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)

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)

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)

Schwierz, N.: Kinetic pathways of water exchange in the first hydration shell of magnesium. The Journal of Chemical Physics 152 (22), 224106 (2020)

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)

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)

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)

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)

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)

Sasmal, S.; Schwierz, N.; Head-Gordon, T.: Mechanism of Nucleation and Growth of Aβ40 Fibrils from All-Atom and Coarse-Grained Simulations. The Journal of Physical Chemistry B 120 (47), pp. 12088 - 12097 (2016)

Schwierz, N.; Lam, R. K.; Gamlieli, Z.; Tills, J. J.; Leung, A.; Geissler, P. L.; Saykally, R. J.: Hydrogen and Electric Power Generation from Liquid Microjets: Design Principles for Optimizing Conversion Efficiency. The Journal of Physical Chemistry C 120 (27), pp. 14513 - 14521 (2016)

Schwierz, N.; Horinek, D.; Sivan, U.; Netz, R. R.: Reversed Hofmeister series—The rule rather than the exception. Current Opinion in Colloid & Interface Science 23, pp. 10 - 18 (2016)

Schwierz, N.; Frost, C. V.; Geissler, P. L.; Zacharias, M.: Dynamics of Seeded Aβ40-Fibril Growth from Atomistic Molecular Dynamics Simulations: Kinetic Trapping and Reduced Water Mobility in the Locking Step. Journal of the American Chemical Society 138 (2), pp. 527 - 539 (2016)

Schwierz, N.; Krysiak, S.; Hugel, T.; Zacharias, M.: Mechanism of Reversible Peptide-Bilayer Attachment: Combined Simulation and Experimental Single-Molecule Study. Langmuir 32 (3), pp. 810 - 821 (2016)

Schwierz, N.; Horinek, D.; Netz, R. R.: Specific ion binding to carboxylic surface groups and the pH dependence of the Hofmeister series. Langmuir 31 (1), pp. 215 - 225 (2015)

Deutschländer, S.; Franzrahe, K.; Heinze, B.; Henseler, P.; Keim, P.; Schwierz, N.; Siems, U.; Virnau, P.; Wilms, D.; Binder, K. et al.; Maret, G.; Nielaba, P.: Effects of boundaries on structure formation in low-dimensional colloid model systems near the liquid-solid-transition in equilibrium and in external fields and under shear. The European Physical Journal Special Topics 222 (11), pp. 2973 - 2993 (2013)

Schwierz, N.; Horinek, D.; Netz, R. R.: Anionic and cationic Hofmeister effects on hydrophobic and hydrophilic surfaces. Langmuir 29 (8), pp. 2602 - 2614 (2013)

Siems, U.; Kreuter, C.; Erbe, A.; Schwierz, N.; Sengupta, S.; Leiderer, P.; Nielaba, P.: Non-monotonic crossover from single-file to regular diffusion in micro-channels. Scientific Reports 2, 1015 (2012)

Schwierz, N.; Horinek, D.; Liese, S.; Pirzer, T.; Balzer, B. N.; Hugel, T.; Netz, R. R.: On the relationship between peptide adsorption resistance and surface contact angle: a combined experimental and simulation single-molecule study. Journal of the American Chemical Society 134 (48), pp. 19628 - 19638 (2012)

Wilms, D.; Deutschländer, S.; Siems, U.; Franzrahe, K.; Henseler, P.; Keim, P.; Schwierz, N.; Virnau, P.; Binder, K.; Maret, G. et al.; Nielaba, P.: Effects of confinement and external fields on structure and transport in colloidal dispersions in reduced dimensionality. Journal of Physics: Condensed Matter 24 (46), 464119 (2012)

Kienle, S.; Liese, S.; Schwierz, N.; Netz, R. R.; Hugel, T.: The effect of temperature on single-polypeptide adsorption. ChemPhysChem 13 (4), pp. 982 - 989 (2012)

Schwierz, N.; Netz, R. R.: Effective interaction between two ion-adsorbing plates: Hofmeister series and salting-in/salting-out phase diagrams from a global mean-field analysis. Langmuir 28 (8), pp. 3881 - 3886 (2012)

Lima, E. R. A.; Boström, M.; Schwierz, N.; Schwierz, N.; Sernelius, B. E.; Tavares, F. W.: Attractive double-layer forces between neutral hydrophobic and neutral hydrophilic surfaces. Physical Review E 84 (6 Pt 1), 061903 (2011)

Schwierz, N.; Nielaba, P.: Colloidal systems in three-dimensional microchannels: lattice control via channel width and external force. Physical Review E 82 (3 Pt 1), 031401 (2010)

Schwierz, N.; Horinek, D.; Netz, R. R.: Reversed anionic Hofmeister series: the interplay of surface charge and surface polarity. Langmuir 26 (10), pp. 7370 - 7379 (2010)

Dzubiella, J.; Fyta, M.; Horinek, D.; Kalcher, I.; Netz, R.R.; Schwierz, N.: Ion-Specificity: From Solvation Thermodynamics to Molecular Simulations and Back. In: Specific Ion Effects, pp. 231 - 266 (Ed. Kunz, W.). World Scientific Publishing, New Jersey (2010)