2009 |
15 | 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 |
14 | 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 |
13 | 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) |
12 | 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 |
11 | EE | Hugo R. R. Santos,
Gregori Ujaque,
Maria João Ramos,
José A. N. F. Gomes:
QM/QM study of the coverage effects on the adsorption of amino-cyclopentene at the Si(100) surface.
Journal of Computational Chemistry 27(15): 1892-1897 (2006) |
10 | 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 |
9 | 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) |
8 | 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 |
7 | | Vineet Pande,
Rakesh K. Sharma,
Jun-Ichiro Inoue,
Masami Otsuka,
Maria João Ramos:
A molecular modeling study of inhibitors of nuclear factor kappa-B (p50) - DNA binding.
Journal of Computer-Aided Molecular Design 17(12): 825-836 (2003) |
6 | | 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) |
5 | | César Portela,
Carlos M. M. Afonso,
Madalena M. M. Pinto,
Maria João Ramos:
Computational studies of new potential antimalarial compounds - Stereoelectronic complementarity with the receptor.
Journal of Computer-Aided Molecular Design 17(9): 583-595 (2003) |
2001 |
4 | EE | Elsa S. Henriques,
Welly B. Floriano,
Nathalie Reuter,
André Melo,
David Brown,
José A. N. F. Gomes,
Bernard Maigret,
Marco A. C. Nascimento,
Maria João Ramos:
The search for a new model structure of beta-Factor XIIa.
Journal of Computer-Aided Molecular Design 15(4): 309-322 (2001) |
2000 |
3 | EE | André Melo,
André T. Puga,
Fernanda Gentil,
Nelson Brito,
Artur Pimenta Alves,
Maria João Ramos:
Byte Structure Variable Length Coding (BS-VLC): A New Specific Algorithm Applied in the Compression of Trajectories Generated by Molecular Dynamics.
Journal of Chemical Information and Computer Sciences 40(3): 559-566 (2000) |
1998 |
2 | EE | Elsa F. Henriques,
Maria João Ramos,
Christopher A. Reynolds:
Inclusion of conserved buried water molecules in the model structure of rat submaxillary kallikrein.
Journal of Computer-Aided Molecular Design 12(6): 547-556 (1998) |
1997 |
1 | EE | Elsa F. Henriques,
Maria João Ramos,
Christopher A. Reynolds:
Inclusion of conserved buried water molecules in the model structure of rat submaxillary kallikrein.
Journal of Computer-Aided Molecular Design 11(6): 547-556 (1997) |