
MSc Ema Chaloupecká
Latest publications
Diverging errors: A comparison of DFT and machine-learning predictions of NMR shieldings
Solid State Nuclear Magnetic Resonance 138: 102019 (2025)
Structure–activity relationship study of small-molecule inhibitor of Atg12-Atg3 protein–protein interaction
Bioorganic and Medicinal Chemistry Letters 112: 129939 (2024)
NMR crystallography of amino acids
Solid State Nuclear Magnetic Resonance 130: 101921 (2024)
Exploring long-range fluorine–carbon J-coupling for conformational analysis of deoxyfluorinated disaccharides: A combined computational and NMR study
Bioorganic Chemistry 147: 107388 (2024)