28 citations · 40 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2020★ 12 cited
Adaptive Density-Guided Approach to Double Incremental Potential Energy Surface Construction
Denis G. Artiukhin, Emil Lund Klinting, Carolin König +1
We present a combination of the recently developed double incremental expansion of potential energy surfaces with the well-established adaptive density-guided approach to grid cons…
physics.chem-ph2018★ 28 cited
Binding Sites for Luminescent Amyloid Biomarkers from non-Biased Molecular Dynamics Simulations
Carolin König, Robin Skånberg, Ingrid Hotz +3
A very stable binding site for the interaction between an pentameric oligothiophene and an amyloid-(1-42) fibril has been identified by means of non-biased molecular dynamics si…