Microsolvation of Protonated Glycine: Infrared Spectra from Data-Driven Quantum Many-Body Simulations.
Understanding how hydration reshapes the structure and conformational flexibility of biomolecular ions is essential for connecting gas-phase spectroscopy to behavior in aqueous environments. Glycine, the simplest amino acid, exhibits rich microsolvation behavior, with competing intra- and intermolecular hydrogen-bondin...