2026
Oporto-Duhart, C., Villegas-Escobar, N., Castillo-Orellana, C., Vöhringer-Martinez, E., Sáez, D. A. (2026). Electrostatic and geometric control of hydride transfer stereoselectivity in bridged pterins: A computational study. Computational and Theoretical Chemistry, 115771. https://doi.org/10.1016/j.comptc.2026.115771

2025
Velázquez-Libera, J. L., Recabarren, R., Sáez, D. A., Castillo, C., Ruiz-Pernía, J. J., Tuñón, I., & Vöhringer-Martinez, E. (2025). Adapted DFTB3 repulsive potentials reach DFT accuracy for hydride transfer reactions in enzymes. Journal of Computational Chemistry, 46(19), e70174. https://doi.org/10.1002/jcc.70174

2023
Recabarren, R., Tinzl, M., Sáez, D. A., Gomez, A., Erb, T. J., & Vöhringer-Martinez, E. (2023). Covalent adduct formation as a strategy for efficient CO₂ fixation in crotonyl-CoA carboxylases/reductases. ACS Catalysis, 13(9), 6230–6241. https://doi.org/10.1021/acscatal.2c05250

2022
Sáez, D. A., Vogt-Geisse, S., & Vöhringer-Martinez, E. (2022). Ene-adducts from 1,4-dihydropyridines and α,β-unsaturated nitriles: Asynchronous transition states displaying aromatic features. Organic & Biomolecular Chemistry, 20(44), 8662–8671. https://doi.org/10.1039/D2OB00989G

DeMirci, H., Rao, Y., Stoffel, G. M., Vogeli, B., Schell, K., Gomez, A., Batyuk, A., Gati, C., Sierra, R. G., Hunter, M. S., Dao, E. H., Ciftci, H. I., Hayes, B., Poitevin, F., Li, P.-N., Kaur, M., Tono, K., Sáez, D. A., Deutsch, S., Yoshikuni, Y., Grubmüller, H., Erb, T. J., Vöhringer-Martinez, E., & Wakatsuki, S. (2022). Intersubunit coupling enables fast CO₂-fixation by reductive carboxylases. ACS Central Science, 8(8), 1091–1101. https://doi.org/10.1021/acscentsci.2c00554