Sus principales áreas de investigación son:

• Química teórica
• Catálisis enzimática computacional
• Dinámica molecular de proteínas
• Mutagénesis computacional
• Mecanismos catalíticos enzimáticos

Proyectos

1. Subvención a la Instalación en la Academia N° SA77210061. Proyecto ANID. Ejecución 2022-2024. Investigadora Principal.
2. FONDECYT postdoctorado N° 3200304. Proyecto ANID.  Ejecución 2020-2021. Investigadora Principal.
3. Italian SuperComputing Resource Allocation N° HP10CLKB7H. Italian SuperComputing Resource Allocation (ISCRA) - CINECA. Ejecución 2020-2021. Co-Investigadora.

Publicaciones

1. Sánchez L., Medina F. E., Mendoza F., Fabres C., and Jaña G. A. Elucidation of the reaction mechanism of Cavia Porcellus L-Asparaginase (CpA): A QM/MM study. Journal of Chemical Information and Modeling, 2022, 63 (1), 270-280. DOI: 10.1021/acs.jcim.2c01122
2. Orellana, M. S., Jaña G. A., Figueroa M., Martínez-Oyanedel J., Medina F. E., Tarifeño-Saldivia E., Gatica M., García M. A., and Uribe E. A. New Insights into the Reaction determinants of specificity in human type I arginase: generation of a mutant that is only active with agmatine as substrate. International Journal of Molecular Sciences, 2022, 23 (12), 6438. DOI: 10.3390/ijms23126438
3. F. E. Medina and G. A. Jaña QM/MM Study of VIM-1 metallo-β-lactamase enzyme: Catalytic Reaction Mechanism. ACS Catalysis, 2022, 12 (1), 36–47. DOI: 10.1021/acscatal.1c04786
4. Paiva, P., F. E. Medina, Neves, R. P. P., Viegas, M., Ferreira P., Sousa, J., Ramos, M. J., and Fernandes, P. A.  Fatty Acid Synthase: an Amazing Chemical Nanofactory. Chemical Review, 2021, 121 (15), 9502–9553. DOI: 10.1021/acs.chemrev.1c00147
5. Neves, R. P. P., F. E. Medina, Paiva, P., Viegas, M., Ferreira, P., Sousa, J., Ramos, M. J., and Fernandes, P. A. Engineering of PKS Megaenzymes – A Promising Way to Biosynthesize High-Value Active Molecules. Topics in Catalysis, 2021, 1-19. DOI: 10.1007/s11244-021-01490-5
6. F. E. Medina and M. Prejanò. Water Molecule allows the intra-molecular activation of Thiamine Di-Phosphate Cofactor in Human Transketolase: Mechanistic Insights on a Famous Proposal. ACS Catalysis, 2021, 11, 4136-4145. DOI: 10.1021/acscatal.0c05414
7. F. E. Medina, M. Prejanò, M. J. Ramos, N. Russo, P. A. Fernandes and T. Marino. How the destabilization of a reaction intermediate affects enzymatic efficiency: the case of human Transketolase. ACS Catalysis, 2020, 10, 2872-2881. DOI: 10.1021/acscatal.9b04690
8. F. Mendoza, F. E. Medina, V. A. Jiménez and G. A. Jaña. Catalytic Role of Gln202 in the Carboligation Reaction Mechanism of Yeast AHAS: A QM/MM Study. Journal of Chemical Information and Modeling, 2020, 60, 915-922. DOI: 10.1021/acs.jcim.9b00863
9. F. E. Medina, M. J. Ramos and P. A. Fernandes. Complexities of the Reaction Mechanisms of CC Double Bond Reduction in Mammalian Fatty Acid Synthase Studied with Quantum Mechanics/Molecular Mechanics Calculations. ACS Catalysis, 2019, 9, 11404-11412. DOI: 10.1021/acscatal.9b03531
10. M. Prejanò, F. E. Medina, , P. A. Fernandes, N. Russo, M. J. Ramos and T. Marino. The Catalytic Mechanism of Human Transketolase. ChemPhysChem, 2019, 20, 2881-2886. DOI: 10.1002/cphc.201900650
11. F. E. Medina, R. P. P. Neves, M. J. Ramos and P. A. Fernandes. QM/MM Study of the Reaction Mechanism of the Dehydratase Domain from Mammalian Fatty Acid Synthase. ACS Catalysis, 2018, 8, 10267-10278. DOI: 10.1021/acscatal.8b02616
12. F. E. Medina, R. P. P. Neves, M. J. Ramos and P. A. Fernandes. A QM/MM study of the reaction mechanism of human β-ketoacyl reductase. Physical Chemistry Chemical Physics, 2017, 19, 347-355. DOI: 10.1039/C6CP07014K
13. G. A. Jaña, E. J. Delgado and F. E. Medina. How important is the synclinal conformation of sulfonylureas to explain the inhibition of AHAS: a theoretical study. Journal of Chemical Information and Modeling, 2014, 54, 926-932. DOI: 10.1021/ci400721y
14. F. E. Medina, S. Aguila, M. C. Baratto, A. Martorana, R. Basosi, J. B. Alderete and R. Vazquez-Duhalt.  Prediction model based on decision tree analysis for laccase mediators. Enzyme and Microbial Technology, 2013, 52, 68-76. DOI: 10.1016/j.enzmictec.2012.10.009