39 citations · 233 across the 27 of their papers we have counts for
3 papers · 1 filter
Information Bottleneck in Peptide Conformation Determination by X-ray Absorption Spectroscopy
Eemeli A. Eronen, Anton Vladyka, Florent Gerbon +2
We apply a recently developed technique utilizing machine learning for statistical analysis of computational nitrogen K-edge spectra of aqueous triglycine. This method, the emulato…
Temperature dependence of the hydrogen bond network in Trimethylamine N-oxide and guanidine hydrochloride - water solutions
Felix Lehmkühler, Yury Forov, Mirko Elbers +7
We present an X-ray Compton scattering study on aqueous Trimethylamine N-oxide (TMAO) and guanidine hydrochloride solutions (GdnHCl) as a function of temperature. Independent from…
Disentangling Structural Information From Core-level Excitation Spectra
Johannes Niskanen, Christoph J. Sahle, Keith Gilmore +3
Core-level spectra of liquids can be difficult to interpret due to the presence of a range of local environments. We present computational methods for investigating core-level spec…