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)

DEER-PREdict: Software for efficient calculation of spin-labeling EPR and NMR data from conformational ensembles. - Giulio Tesei; João M. Martins; Micha B. A. Kunze; Yong Wang; Ramon Crehuet; Kresten Lindorff-Larsen (PLoS Comput. Biol., 2021)