Latest publications

N-Glycosylation can selectively block or foster different receptor–ligand binding modes
Scientific Reports 11: 5239 (2021)
Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy
Physical Chemistry Chemical Physics 22 (41): 24014-24027 (2020)
A practical guide to biologically relevant molecular simulations with charge scaling for electronic polarization
Journal of Chemical Physics 153: 050901 (2020)
Raman Optical Activity of Glucose and Sorbose in Extended Wavenumber Range
ChemPhysChem 21 (12): 1272-1279 (2020)