Dinler Amaral Antunes

Dinler Antunes is a Postdoctoral Research Associate at the Computer Science Department of Rice University (Houston, TX), interested in structural bioinformatics and immunology. He is developing new computational methods for structural modeling and structural analysis of protein-ligand complexes that play key roles in cellular immunity. His work will facilitate the development of safer and better personalized immunotherapy treatments for cancer, having also applications for vaccinology and autoimmunity.

Additional information

Recent Publications

  1. D. Devaurs, D. A. Antunes, S. Hall-Swan, N. Mitchell, M. Moll, G. Lizée, and L. E. Kavraki, “Using parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins,” BMC Molecular and Cell Biology, vol. 20, no. 1, p. 42, Sep. 2019.
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  2. J. R. Abella, D. A. Antunes, C. Clementi, and L. E. Kavraki, “APE-Gen: A Fast Method for Generating Ensembles of Bound Peptide-MHC Conformations,” Molecules, vol. 24, no. 5, 2019.
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  3. D. A. Antunes, J. R. Abella, D. Devaurs, M. M. Rigo, and L. E. Kavraki, “Structure-based methods for binding mode and binding affinity prediction for peptide-MHC complexes,” Current Topics in Medicinal Chemistry, vol. 19, no. 1, 2019.
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  4. D. Devaurs, D. A. Antunes, and L. E. Kavraki, “Revealing Unknown Protein Structures Using Computational Conformational Sampling Guided by Experimental Hydrogen-Exchange Data,” International Journal of Molecular Sciences, vol. 19, no. 11, p. 3406, 2018.
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  5. D. A. Antunes, D. Devaurs, M. Moll, G. Lizée, and L. E. Kavraki, “General prediction of peptide-MHC binding modes using incremental docking: A proof of concept,” Scientific Reports, vol. 8, p. 4327, 2018.
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  6. D. Devaurs, M. Papanastasiou, D. A. Antunes, J. R. Abella, M. Moll, D. Ricklin, J. D. Lambris, and L. E. Kavraki, “Native state of complement protein C3d analysed via hydrogen exchange and conformational sampling,” International Journal of Computational Biology and Drug Design, vol. 11, no. 1/2, pp. 90–113, 2018.
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  7. D. A. Antunes, M. Moll, D. Devaurs, K. R. Jackson, G. Lizée, and L. E. Kavraki, “DINC 2.0: a new protein-peptide docking webserver using an incremental approach,” Cancer Research, vol. 77, no. 21, pp. e55–57, Nov. 2017.
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  8. D. A. Antunes, M. M. Rigo, M. V. Freitas, M. M. FA, M. Sinigaglia, G. Lizée, L. E. Kavraki, L. K. Selin, M. Cornberg, and G. F. Vieira, “Interpreting T-cell cross-reactivity through structure: implications for TCR-based cancer immunotherapy,” Front. Immunol., vol. 8, no. 1210, 2017.
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  9. D. Devaurs, D. A. Antunes, M. Papanastasiou, M. Moll, D. Ricklin, J. D. Lambris, and L. E. Kavraki, “Coarse-grained conformational sampling of protein structure improves the fit to experimental hydrogen-exchange data,” Frontiers in Molecular Biosciences, vol. 4, no. 13, 2017.
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  10. D. A. Antunes, D. Devaurs, and L. E. Kavraki, “Understanding the challenges of protein flexibility in drug design,” Expert Opinion on Drug Discovery, vol. 10, no. 12, pp. 1301–1313, 2015.
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