Gee, W.; Doyle, A.; Vargas, S.; Alexandrova, A. N. Multi-Level QTAIM-Enriched Graph Neural Networks for Resolving Properties of Transition Metal Complexes. Digital Discovery 2025, 4, 3378–3388. Download

By anna_13579Q / August 3, 2025

Gee, W.; Doyle, A.; Vargas, S.; Alexandrova, A. N. Multi-Level QTAIM-Enriched Graph Neural Networks for Resolving Properties of Transition Metal Complexes. Digital Discovery 2025, 4, 3378–3388. Download

Mir, A. Q.; Banerjee, A.; Ihiri, F.; Chiu, S.; Alexandrova, A. N.; Morales-Guio, C.; Yang, J. Y. Optimizing CO₂-Loaded Aqueous Amine Solutions for Higher Electrocatalytic CO₂ Reduction Activity. J. Am. Chem. Soc. 2025, 147 (43), 39123–39133. Download

Lu, J.; Sawaya, M. R.; Chaturvedi, S. S.; Guion, D.; Lutter, L.; Ge, P.; Hou, K.; Murrali, M. G.; Cooper, G. I. D.; Jiang, Y. X.; Cheng, X.; Cascio, D.; Boyer, D. R.; Williams, C. K.; Magaki, S.; Feigon, J.; Harran, P. G.; Alexandrova, A. N.; Eisenberg, D. S. How mock-amyloid fibrils formed by a small molecule disassemble stable pathological MSA α-synuclein fibrils. 2025, submitted.

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