~ Theoretical Biophysics ~
TOC

Publications

S. Cruz-Leon, A. Vazquez-Mayagoitia, S. Melchionna, N. Schwierz, and M. Fyta.
Coarse-Grained Double-Stranded RNA Model from Quantum-Mechanical Calculations.
J. Phys. Chem. B
,122(32), 7915-7928, 2018 (doi)

S. Mamatkulov and N. Schwierz.
Force fields for monovalent and divalent metal cations in TIP3P water based on thermodynamic and kinetic properties.
J. Phys. Chem.
,148, 074504, 2018 (doi)

N. Schwierz, C. V. Frost, P. L. Geissler and M. Zacharias.
From Aβ Filament to Fibril: Molecular Mechanism of Surface-Activated Secondary Nucleation from All-Atom MD Simulations.
J. Phys. Chem. B, 121(4), 671-682, 2017 (doi)

N. Schwierz, R. K. Lam, Z. Gamlieli, J. J. Tills, P. L. Geissler and R. J. Saykally.
Hydrogen and electric power generation from liquid microjets: Design principles for optimizing conversion effciency.
J. Phys. Chem. C
, 120(27), 14513-14521, 2016 (doi)

N. Schwierz, D. Horinek, U. Sivan and R. R. Netz.
Reversed Hofmeister Series - the Rule rather than the Exception.
Curr. Opin. Colloid Interface Sci.
,23, 10-18, 2016 (doi)

N. Schwierz, C. V. Frost, P. L. Geissler and M. Zacharias.
Dynamics of Seeded Aβ40-Fibril Growth from Atomistic Molecular Dynamics Simulations: Kinetic Trapping and Reduced Water Mobility in the Locking Step.
J. Am. Chem. Soc., 138(2), 527-539, 2016 (doi)

N. Schwierz, S. Krysiak, T. Hugel and M. Zacharias.
On the Mechanism of Reversible Peptide-Bilayer Attachment: A Combined Experimental and Simulation Single-Molecule Study.
Langmuir,  32(2), 810-821, 2016 (doi)

N. Schwierz, D. Horinek and R. R. Netz.
Specifc Ion Binding to Carboxylic Surface Groups and the pH Dependence of the Hofmeister Series.
Langmuir
31(1), 215–225, 2015 (doi
)

 

S. Deutschlaender, K. Franzrahe, P. Henseler, B. Heinze, P. Keim, N. Schwierz, U. Siems, P. Virnau, D. Wilms, K. Binder, G. Maret and P. Nielaba

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.
Eur. Phys. J. - Spec. Top. 222, 2973-2993, 2013 (doi)

 

N. Schwierz, D. Horinek and R. R. Netz.
Anionic and Cationic Hofmeister Effects on Hydrophobic and Hydrophilic Surfaces.
Langmuir 29(8), 2602–2614, 2013 (doi)

 

U. Siems, C. Kreuter, A. Erbe, N. Schwierz, S. Sengupta, P. Leiderer, P. Nielaba.
Non-monotonous Crossover from Single-file to Regular Diffusion in Micro-channels.
Scientific Reports 2, 1015 (1-4), 2012 (doi)

 

D. Wilms, S. Deutschlaender, U. Siems, K. Franzrahe, P. Henseler, P. Keim, N. Schwierz,

P. Virnau, K. Binder, G. Maret and P. Nielaba.

Effects of Confinement and External Fields on Structure and Transport in Colloidal Dispersions in Reduced Dimensionality.
J. Phys. - Condens. Mat.
, 24(46): 464119 (1-13) 2012 (doi)

 

N. Schwierz, D. Horinek, S. Liese, T. Pirzer, B. N. Balzer, T. Hugel and R. R. Netz.
On the Relationship between Peptide Adsorption Resistance and Surface Contact Angle: A Combined Experimental and Simulation Single-molecule Study.
J. Am. Chem. Soc.
134(48), 19628-19638, 2012 (doi
)

 

N. Schwierz and R. R. Netz.
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):3881-3886, 2012 (doi
)

 

N. Schwierz, D. Horinek and R. R. Netz.
Reversed Anionic Hofmeister Series: The Interplay of Surface Charge and Surface Polarity.
Langmuir
26(10):7370–7379, 2010 (doi
)

 

E. R. A. Lima, M. Bostroem, N. Schwierz and F. W. Tavares.
Attractive Double-Layer Forces between Neutral Hydrophobic and Neutral Hydrophilic Surfaces.
Phys. Rev. E
84(6):061903, 2011 (doi
)

 

S. Kienle, S. Liese, N. Schwierz, R. R. Netz and T. Hugel.
The Effect of Temperature on Single Polypeptide Adsorption.
ChemPhysChem.
13(4):982-989, 2011 (doi
)

 

J. Dzubiella, M. Fyta, D. Horinek, I. Kalcher, R. R. Netz and N. Schwierz.
Specific Ion Effects, in Ion-Specificity: From Solvation Thermodynamics to Molecular Simulations and Back.
Ed. by W. Kunz, World Scientific Publishing, Singapore, 1st edition, 2010.

 

N. Schwierz, P. Nielaba.
Colloidal Systems in Three-dimensional Microchannels: Lattice Control via Channel Width and External Force.
Phys. Rev. E
82(3), 031401, 2010 (doi
)


 ~ Nadine Schwierz ~