Combined NMR three-bond scalar coupling measurements and QM calculations to calculate OH-rotamer equilibrium of polyalcohols. - Katalin E. Kövér; Tamás Beke; András Lipták; András Perczel (J. Comput. Chem., 2009)

Comparison of Carbohydrate Force Fields Using Gaussian Accelerated Molecular Dynamics Simulations and Development of Force Field Parameters for Heparin-Analogue Pentasaccharides. - Gábor Dániel Balogh; Tamás Gyöngyösi; István Timári; Mihály Herczeg; Anikó Borbás; Krisztina Fehér; Katalin E. Kövér (J. Chem. Inf. Model., 2019)

Conformational Analysis of Heparin-Analogue Pentasaccharides by Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulations. - Gábor Dániel Balogh; Tamás Gyöngyösi; István Timári; Mihály Herczeg; Anikó Borbás; S. Kashif Sadiq; Krisztina Fehér; Katalin E. Kövér (J. Chem. Inf. Model., 2021)