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ORCIDDiego Enry Barreto Gomes
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2020 – today
- 2023
[j4]Diego Enry Barreto Gomes
, Katia Galentino, Marion Sisquellas, Luca Monari, Cédric Bouysset, Marco Cecchini:
ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies. J. Chem. Inf. Model. 63(2): 407-411 (2023)- [c3]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, Mariano Spivak, Barry Isralewitz, Rafael C. Bernardi, Diego Enry Barreto Gomes, Giri P. Krishnan, Maxim Bazhenov, Shava Smallen, Amit Majumdar, Anton Arkhipov, Kael Dai, Xiao-Ping Liu, Kenneth Yoshimoto:
Cybershuttle: An End-to-End Cyberinfrastructure Continuum to Accelerate Discovery in Science and Engineering. PEARC 2023: 26-34 - 2022
- [j3]Priscila S. F. C. Gomes, Diego Enry Barreto Gomes, Rafael C. Bernardi:
Protein structure prediction in the era of AI: Challenges and limitations when applying to in silico force spectroscopy. Frontiers Bioinform. 2 (2022) - 2021
- [j2]Jorge Enrique Hernández González, Emir Salas-Sarduy, Lilian Hernández Alvarez, Diego Enry Barreto Gomes, Pedro Geraldo Pascutti, Chris Oostenbrink, Vitor B. P. Leite:
In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2. J. Comput. Aided Mol. Des. 35(10): 1067-1079 (2021) - 2020
- [j1]Adrien H. Cerdan, Marion Sisquellas, Gilberto Pereira, Diego Enry Barreto Gomes, Jean-Pierre Changeux, Marco Cecchini:
The Glycine Receptor Allosteric Ligands Library (GRALL). Bioinform. 36(11): 3379-3384 (2020)
2000 – 2009
- 2008
- [c2]Diego Enry Barreto Gomes, Roberto D. Lins, Pedro Geraldo Pascutti, Tjerk P. Straatsma, Thereza A. Soares:
Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase. BSB 2008: 68-78 - 2005
- [c1]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:
The BioPAUÁ Project: A Portal for Molecular Dynamics Using Grid Environment. BSB 2005: 214-217
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