Katharina Meier

Solid-State Electrolytes: Revealing the Mechanisms of Li-Ion Conduction in Tetragonal and Cubic LLZO by First-Principles Calculations

Katharina Meier, Teodoro Laino, Alessandro Curioni · The Journal of Physical Chemistry C · 2014 · 248 citations

Engineering, Chemistry, Molecular Dynamics +21

GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories

Andreas P. Eichenberger, Jane R. Allison, Jožica Dolenc et al. · Journal of Chemical Theory and Computation · 2011 · 214 citations

On the effect of a variation of the force field, spatial boundary condition and size of the QM region in QM/MM MD simulations

Katharina Meier, Walter Thiel, Wilfred F. van Gunsteren · Journal of Computational Chemistry · 2011 · 43 citations · Full text

Engineering, Molecular Biology, Computational Chemistry +22

Prioritizing Small Sets of Molecules for Synthesis through <i>in‐silico</i> Tools: A Comparison of Common Ranking Methods

Marko Breznik, Ge Yunhui, Joseph P. Bluck et al. · ChemMedChem · 2022 · 40 citations · Full text

Discovery of a hidden transient state in all bromodomain families

Lluı́s Raich, Katharina Meier, Judith Günther et al. · Proceedings of the National Academy of Sciences · 2021 · 32 citations · Full text