Ligand-Induced Structural Changes in TEM-1 Probed by Molecular Dynamics and Relative Binding Free Energy Calculations. - António César Pimenta; João M. Martins; Ruben Fernandes; Irina S. Moreira (J. Chem. Inf. Model., 2013)

Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect. - António César Pimenta; Daniel F. A. R. Dourado; João M. Martins; André Melo; M. N. Dias Soeiro Cordeiro; Ramiro D. Almeida; Giulia Morra; Irina S. Moreira (J. Chem. Inf. Model., 2014)

Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein-Protein and Protein-Nucleic Acid Interfaces. - Cristian R. Munteanu; António César Pimenta; Carlos Fernandez-Lozano; André Melo; M. N. D. S. Cordeiro; Irina S. Moreira (J. Chem. Inf. Model., 2015)