Publications of the Max Planck Institute of Biophysics

Publications of the Max Planck Institute of Biophysics

Institute Publications Ernst Bamberg Martin Beck Ulrich Ermler Gerhard Hummer Misha Kudryashev Werner Kühlbrandt Julian Langer Hartmut Michel Bonnie Murphy Nadine Schwierz Sonja Welsch Search Yearbooks

Publications Nadine Schwierz

Journal Article (25)

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)
2016
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
2015
Journal Article
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)
2013
Journal Article
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)
Journal Article
Schwierz, N.; Horinek, D.; Netz, R. R.: Anionic and cationic Hofmeister effects on hydrophobic and hydrophilic surfaces. Langmuir 29 (8), pp. 2602 - 2614 (2013)
2012
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
Journal Article
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)
2011
Journal Article
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)
2010
Journal Article
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)
Journal Article
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)

Book Chapter (1)

2010
Book Chapter
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)
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