Selected Publications
You can find a list of my publications at Google Scholar or Scopus
Please find below a short selection of my publications:
1. Oliveira AL, Viegas MF, da Silva SL, Soares AM, Ramos MJ, Fernandes PA. The chemistry of snake venom and its medicinal potential. Nature Reviews Chemistry 6(7):451-469, 2022.
2. CL Perrin, I Agranat, A Bagno, SE Braslavsky, PA Fernandes, et al. (total: 18 autores), Glossary of terms used in physical organic chemistry (IUPAC Recommendations 2021), Pure and Applied Chemistry 94 (4), 353-534, 2, 2022
3. P Paiva, FE Medina, M Viegas, P Ferreira, RPP Neves, JPM Sousa, MJ Ramos, PA Fernandes, Animal fatty acid synthase: a chemical Nanofactory, Chemical Reviews 121 (15), 9502-9553, 5, 2021
4. C Jerves, RPP Neves, MJ Ramos, S da Silva, PA Fernandes, Reaction Mechanism of the PET Degrading Enzyme PETase Studied with DFT/MM Molecular Dynamics Simulations, ACS Catalysis 11 (18), 11626-11638, 8, 2021
5. SF Sousa, AR Calixto, P Ferreira, MJ Ramos, C Lim, PA Fernandes, Activation free energy, substrate binding free energy, and enzyme efficiency fall in a very narrow range of values for most enzymes, ACS Catalysis 10 (15), 8444-8453, 7, 2020
6. JPM Sousa, RPP Neves, SF Sousa, MJ Ramos, PA Fernandes, Reaction mechanism and determinants for efficient catalysis by DszB, a key enzyme for crude oil bio-desulfurization, ACS Catalysis 10 (16), 9545-9554, 26, 2020.
7. AR Calixto, MJ Ramos, PA Fernandes, Conformational diversity induces nanosecond-timescale chemical disorder in the HIV-1 protease reaction pathway, Chemical Science 10 (30), 7212-7221, 2019
8. Neves RPP, Fernandes PA, Ramos MJ, Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase, PNAS, E4724, 2017.
9. AJM Ribeiro, D Santos-Martins, N Russo, MJ Ramos, PA Fernandes, Enzymatic flexibility and reaction rate: a QM/MM study of HIV-1 protease, ACS Catalysis 5 (9), 5617-5626, 63, 2015
10. AJM Ribeiro, MJ Ramos, PA Fernandes, The catalytic mechanism of HIV-1 integrase for DNA 3′-end processing established by QM/MM calculations, Journal of the American Chemical Society 134 (32), 13436-13447, 50, 2012