Publications of the Research Lab of Nadine Schwierz

Main keywords of publications are listed here:

Hofmeister ion specific effects RNA metal cations molecular dynamics simulations enhance sampling force field development

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Hofmeister series for metal cation-RNA interactions: The interplay of binding affinity and exchange kinetics.

in print 2020

S. Cruz-Leon and N. Schwierz.Langmuir., 2020 [10.1021/acs.langmuir.0c00851]

Ion-Specific and pH-Dependent Hydration of Mica-Electrolyte Interfaces.

2019/04/12

van Lin SR, Grotz KK, Siretanu I, Schwierz N, Mugele F. Langmuir., 2019 [10.1021/acs.langmuir.9b00520]

Coarse-Grained Double-Stranded RNA Model from Quantum-Mechanical Calculations.

2018/07/26

Cruz-León S, Vázquez-Mayagoitia A, Melchionna S, Schwierz N, Fyta M. J Phys Chem B., 2018 [10.1021/acs.jpcb.8b03566]

Force fields for monovalent and divalent metal cations in TIP3P water based on thermodynamic and kinetic properties.

2018/02/24

Mamatkulov S, Schwierz N. J Chem Phys., 2018 [10.1063/1.5017694]

From Aβ Filament to Fibril: Molecular Mechanism of Surface-Activated Secondary Nucleation from All-Atom MD Simulations.

2016/12/20

Schwierz N, Frost CV, Geissler PL, Zacharias M. J Phys Chem B., 2016 [10.1021/acs.jpcb.6b10189]

Mechanism of Nucleation and Growth of Aβ40 Fibrils from All-Atom and Coarse-Grained Simulations.

2016/11/03

Sasmal S, Schwierz N, Head-Gordon T. J Phys Chem B., 2016 [10.1021/acs.jpcb.6b09655]

Mechanism of Reversible Peptide-Bilayer Attachment: Combined Simulation and Experimental Single-Molecule Study.

2015/12/31

Schwierz N, Krysiak S, Hugel T, Zacharias M. Langmuir., 2015 [10.1021/acs.langmuir.5b03435]

Dynamics of Seeded Aβ40-Fibril Growth from Atomistic Molecular Dynamics Simulations: Kinetic Trapping and Reduced Water Mobility in the Locking Step.

2015/12/24

Schwierz N, Frost CV, Geissler PL, Zacharias M. J Am Chem Soc., 2015 [10.1021/jacs.5b08717]

Specific ion binding to carboxylic surface groups and the pH dependence of the Hofmeister series.

2014/12/17

Schwierz N, Horinek D, Netz RR. Langmuir., 2014 [10.1021/la503813d]

Anionic and cationic Hofmeister effects on hydrophobic and hydrophilic surfaces.

2013/01/24

Schwierz N, Horinek D, Netz RR. Langmuir., 2013 [10.1021/la303924e]

Non-monotonic crossover from single-file to regular diffusion in micro-channels.

2012/12/25

Siems U, Kreuter C, Erbe A, Schwierz N, Sengupta S, Leiderer P, Nielaba P. Sci Rep., 2012 [10.1038/srep01015]

Effects of confinement and external fields on structure and transport in colloidal dispersions in reduced dimensionality.

2012/11/02

Wilms D, Deutschländer S, Siems U, Franzrahe K, Henseler P, Keim P, Schwierz N, Virnau P, Binder K, Maret G, Nielaba P. J Phys Condens Matter., 2012 [10.1088/0953-8984/24/46/464119]

On the relationship between peptide adsorption resistance and surface contact angle: a combined experimental and simulation single-molecule study.

2012/10/30

Schwierz N, Horinek D, Liese S, Pirzer T, Balzer BN, Hugel T, Netz RR. J Am Chem Soc., 2012 [10.1021/ja304462u]

Attractive double-layer forces between neutral hydrophobic and neutral hydrophilic surfaces.

2012/02/07

Lima ER, Boström M, Schwierz N, Sernelius BE, Tavares FW. Phys Rev E Stat Nonlin Soft Matter Phys., 2012 [10.1103/PhysRevE.84.061903]

The effect of temperature on single-polypeptide adsorption.

2012/02/01

Kienle S, Liese S, Schwierz N, Netz RR, Hugel T. Chemphyschem., 2012 [10.1002/cphc.201100776]

Effective interaction between two ion-adsorbing plates: Hofmeister series and salting-in/salting-out phase diagrams from a global mean-field analysis.

2012/01/27

Schwierz N, Netz RR. Langmuir., 2012 [10.1021/la204060k]

Colloidal systems in three-dimensional microchannels: lattice control via channel width and external force.

2011/01/15

Schwierz N, Nielaba P. Phys Rev E Stat Nonlin Soft Matter Phys., 2011 [10.1103/PhysRevE.82.031401]

Reversed anionic Hofmeister series: the interplay of surface charge and surface polarity.

2010/04/07

Schwierz N, Horinek D, Netz RR. Langmuir., 2010 [10.1021/la904397v]

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