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Kara K. Grotz
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Ion-Specific and pH-Dependent Hydration of Mica–Electrolyte Interfaces
SR Van Lin, KK Grotz, I Siretanu, N Schwierz, F Mugele
Langmuir 35 (17), 5737-5745, 2019
552019
Optimized Magnesium Force Field Parameters for Biomolecular Simulations with Accurate Solvation, Ion-Binding, and Water-Exchange Properties
KK Grotz, S Cruz-León, N Schwierz
Journal of Chemical Theory and Computation, 2021
372021
Extended magnesium and calcium force field parameters for accurate ion–nucleic acid interactions in biomolecular simulations
S Cruz-León, KK Grotz, N Schwierz
The Journal of Chemical Physics 154 (17), 171102, 2021
262021
Dispersion correction alleviates dye stacking of single-stranded DNA and RNA in simulations of single-molecule fluorescence experiments
KK Grotz, MF Nueesch, ED Holmstrom, M Heinz, LS Stelzl, B Schuler, ...
The Journal of Physical Chemistry B 122 (49), 11626-11639, 2018
202018
Optimized Magnesium Force Field Parameters for Biomolecular Simulations with Accurate Solvation, Ion-Binding, and Water-Exchange Properties in SPC/E, TIP3P-fb, TIP4P/2005 …
KK Grotz, N Schwierz
Journal of chemical theory and computation 18 (1), 526-537, 2021
172021
Magnesium force fields for OPC water with accurate solvation, ion-binding, and water-exchange properties: Successful transfer from SPC/E
KK Grotz, N Schwierz
The Journal of Chemical Physics 156 (11), 114501, 2022
112022
Conformational Dynamics of Single-Stranded Nucleic Acids-A Comparison of Molecular Dynamics Simulations to Single-Molecule FRET Experiments
KK Grotz
Goethe-Universität Frankfurt, Fachbereich Physik Frankfurt am Main, 2017
2017
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