The BioPAUÁ Project: A Portal for Molecular Dynamics Using Grid Environment. - Alan Wilter; Carla Osthoff; Cristiane Oliveira; Diego Enry Barreto Gomes; Eduardo Hill; Laurent Emmanuel Dardenne; Patrícia M. Barros; Pedro A. A. G. L. Loureiro; Reynaldo Novaes; Pedro Geraldo Pascutti (BSB, 2005)

Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase. - Diego Enry Barreto Gomes; Roberto D. Lins; Pedro Geraldo Pascutti; Tjerk P. Straatsma; Thereza A. Soares (BSB, 2008)

The Glycine Receptor Allosteric Ligands Library (GRALL). - Adrien H. Cerdan; Marion Sisquellas; Gilberto Pereira; Diego Enry Barreto Gomes; Jean-Pierre Changeux; Marco Cecchini (Bioinform., 2020)

In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2. - Jorge Enrique Hernández González; Emir Salas-Sarduy; Lilian Hernández Alvarez; Diego Enry Barreto Gomes; Pedro Geraldo Pascutti; Chris Oostenbrink; Vitor B. P. Leite (J. Comput. Aided Mol. Des., 2021)

Protein structure prediction in the era of AI: Challenges and limitations when applying to in silico force spectroscopy. - Priscila S. F. C. Gomes; Diego Enry Barreto Gomes; Rafael C. Bernardi (Frontiers Bioinform., 2022)

Cybershuttle: An End-to-End Cyberinfrastructure Continuum to Accelerate Discovery in Science and Engineering. - Suresh Marru; Marlon E. Pierce; Beth Plale; Sudhakar Pamidighantam; Dimuthu Wannipurage; Marcus Christie; Isuru Ranawaka; Eroma Abeysinghe; Rob Quick; Emad Tajkhorshid; Seid Koric; Jim Basney; et al. (PEARC, 2023)

ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies. - Diego Enry Barreto Gomes; Katia Galentino; Marion Sisquellas; Luca Monari; Cédric Bouysset; Marco Cecchini (J. Chem. Inf. Model., 2023)