2 papers
cs.HC2021
Visual Analysis of Electronic Densities and Transitions in Molecules
Talha Bin Masood, Signe Sidwall Thygesen, Mathieu Linares +3
The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitio…
physics.chem-ph2018
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…