Publicações

Maria João Ramos, André Melo, Elsa S. Henriques

Modelling enzyme-ligand interactions

Theoretical biochemistry - processes and properties of biological systems
Vol.9, L. A. Eriksson (Editor), Elsevier, Amsterdam,
Pages 539-595, 2001

André Melo, André T. Puga, Fernanda Gentil, Nelson Brito, Artur P. Alves, Maria João Ramos

The 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, Vol.40,
Pages 559-566, 2000

André Melo, André T. Puga, Nelson Brito, Artur P. Alves, Maria João Ramos

Specific compression of molecular dynamics trajectories

Proceedings 11th Portuguese Conference on Pattern Recognition
Pages 323-344, 2000

André Melo, Maria João Ramos

A new partitioning scheme for molecular interacting systems within a multiconfigurational or monoconfigurational Hartree-Fock formalism

International Journal of Quantum Chemistry, Vol.72,
Pages 157-176, 1999

Maria João Ramos, André Melo

Modelling Enzyme-Inhibitor Interactions in Serine Proteases

International Journal of Quantum Chemistry, Vol.74,
Pages 299-314, 1999

André Melo, Maria João Ramos, Welly B. Floriano, Jose A. N. F. Gomes, José F. R. Leão, Alexandre L. Magalhães, Bernard Maigret, Marco A. C. Nascimento, Nathalie Reuter

Theoretical study of arginine-carboxylate interactions

Journal of Molecular Structure (Theochem), Vol.463,
Pages 81-90, 1999