2009 |
8 | EE | Alexandra T. P. Carvalho,
Pedro Alexandrino Fernandes,
Marcel Swart,
Joost N. P. Van Stralen,
F. Matthias Bickelhaupt,
Maria João Ramos:
Role of the variable active site residues in the function of thioredoxin family oxidoreductases.
Journal of Computational Chemistry 30(5): 710-724 (2009) |
2008 |
7 | EE | Natércia F. Brás,
Sara A. Moura-Tamames,
Pedro Alexandrino Fernandes,
Maria João Ramos:
Mechanistic studies on the formation of glycosidase-substrate and glycosidase-inhibitor covalent intermediates.
Journal of Computational Chemistry 29(15): 2565-2574 (2008) |
2007 |
6 | EE | Irina S. Moreira,
Pedro Alexandrino Fernandes,
Maria João Ramos:
Computational alanine scanning mutagenesis - An improved methodological approach.
Journal of Computational Chemistry 28(3): 644-654 (2007) |
5 | EE | Sérgio Filipe Sousa,
Pedro Alexandrino Fernandes,
Maria João Ramos:
Theoretical studies on farnesyl transferase: Evidence for thioether product coordination to the active-site zinc sphere.
Journal of Computational Chemistry 28(7): 1160-1168 (2007) |
2006 |
4 | EE | Alexandra T. P. Carvalho,
Pedro Alexandrino Fernandes,
Maria João Ramos:
Determination of the pKa between the active site cysteines of thioredoxin and DsbA.
Journal of Computational Chemistry 27(8): 966-975 (2006) |
2004 |
3 | EE | Susana Pereira,
Pedro Alexandrino Fernandes,
Maria João Ramos:
Mechanism for ribonucleotide reductase inactivation by the anticancer drug gemcitabine.
Journal of Computational Chemistry 25(10): 1286-1294 (2004) |
2 | EE | Susana Pereira,
Pedro Alexandrino Fernandes,
Maria João Ramos:
Theoretical study of ribonucleotide reductase mechanism-based inhibition by 2-azido-2-deoxyribonucleoside 5-diphosphates.
Journal of Computational Chemistry 25(2): 227-237 (2004) |
2003 |
1 | | Pedro Alexandrino Fernandes,
Alexandra T. P. Carvalho,
A. T. Marques,
A. L. F. Pereira,
A. P. S. Madeira,
A. S. P. Ribeiro,
A. F. R. Carvalho,
E. T. A. Ricardo,
F. J. V. Pinto,
H. A. Santos,
H. D. G. Mangericão,
H. M. Martins,
H. D. B. Pinto,
Hugo R. R. Santos,
Irina S. Moreira,
M. J. V. Azeredo,
R. P. S. Abreu,
R. M. S. Oliveira,
S. F. M. Sousa,
R. J. A. M. Silva,
Z. S. Mourão,
Maria João Ramos:
New designs for MRI contrast agents.
Journal of Computer-Aided Molecular Design 17(7): 463-473 (2003) |