Research Lab

BioMolecular Simulations

56737

Selected Publications

Soares, S; García-Estévez, I; Ferrer-Galego, R; Brás, NF; Brandão, E; Silva, M; Teixeira, N; Fonseca, F; Sousa, SF; Ferreira-da-Silva, F; Mateus, N; de Freitas, V. 2018. Study of human salivary proline-rich proteins interaction with food tannins. FOOD CHEMISTRY, 243, DOI: 10.1016/j.foodchem.2017.09.063
Cerqueira, NMFSA; Moorthy, H; Fernandes, PA; Ramos, MJ. 2017. The mechanism of the Ser-(cis)Ser-Lys catalytic triad of peptide amidases. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19, DOI: 10.1039/c7cp00277g
Sousa, SF; Ribeiro, AJM; Neves, RPP; Bras, NF; Cerqueira, NMFSA; Fernandes, PA; Ramos, MJ. 2017. Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms. Wiley Interdisciplinary Reviews-Computational Molecular Science, 7, DOI: 10.1002/wcms.1281
Fernandes, HS; Ramos, MJ; Cerqueira, NMFSA. 2017. The Catalytic Mechanism of the Pyridoxal-5 '-phosphate-Dependent Enzyme, Histidine Decarboxylase: A Computational Study. CHEMISTRY-A EUROPEAN JOURNAL, 23, DOI: 10.1002/chem.201701375
Ferreira, P; Sousa, SF; Fernandes, PA; Ramos, MJ. 2017. Improving the Catalytic Power of the DszD Enzyme for the Biodesulfurization of Crude Oil and Derivatives. CHEMISTRY-A EUROPEAN JOURNAL, 23, DOI: 10.1002/chem.201704057