Santra, G.; Pantazis, D. A. Conformational Profile of Galactose-α-1,3-Galactose (α-Gal) and Structural Basis of Its Immunological Response. Chemistry – A European Journal2025, e202500050.
Santra, G. Revisiting Boron Cluster Dihydrogen Bonding: Improved Reference Energies and Benchmark of Localized Coupled Cluster and DFT Methods. ChemRxiv: the Preprint Server for Chemistry2025.
Santra, G.; Neese, F.; Pantazis, D. A. Extensive Reference Set and Refined Computational Protocol for Calculations of 57Fe Mössbauer Parameters. Physical Chemistry Chemical Physics2024, 26, 23322–23334.
Shalini Yadav, a postdoctoral researcher at the Max-Planck-Institut für Kohlenforschung, has received the Alexander von Humboldt Fellowship to advance her computational chemistry research on enzymes.