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2024 Journal Article Engineering G protein‐coupled receptors for stabilizationVelloso, João Paulo L., de Sá, Alex G. C., Pires, Douglas E. V. and Ascher, David B. (2024). Engineering G protein‐coupled receptors for stabilization. Protein Science, 33 (6) e5000, 1-13. doi: 10.1002/pro.5000 |
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2024 Journal Article AI-driven GPCR analysis, engineering, and targetingVelloso, João P.L., Kovacs, Aaron S., Pires, Douglas E.V. and Ascher, David B. (2024). AI-driven GPCR analysis, engineering, and targeting. Current Opinion in Pharmacology, 74 102427. doi: 10.1016/j.coph.2023.102427 |
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2022 Journal Article cardioToxCSM: a web server for predicting cardiotoxicity of small moleculesIftkhar, Saba, de Sá, Alex G. C., Velloso, João P. L., Aljarf, Raghad, Pires, Douglas E. V. and Ascher, David B. (2022). cardioToxCSM: a web server for predicting cardiotoxicity of small molecules. Journal of Chemical Information and Modeling, 62 (20), 4827-4836. doi: 10.1021/acs.jcim.2c00822 |
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2021 Journal Article pdCSM-GPCR: predicting potent GPCR ligands with graph-based signaturesVelloso, João Paulo L., Ascher, David B. and Pires, Douglas E. V. (2021). pdCSM-GPCR: predicting potent GPCR ligands with graph-based signatures. Bioinformatics Advances, 1 (1) vbab031, vbab031. doi: 10.1093/bioadv/vbab031 |
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2021 Book Chapter Identifying genotype-phenotype correlations via integrative mutation analysisAirey, Edward, Portelli, Stephanie, Xavier, Joicymara S, Myung, Yoo Chan, Silk, Michael, Karmakar, Malancha, Velloso, João P L, Rodrigues, Carlos H M, Parate, Hardik H, Garg, Anjali, Al-Jarf, Raghad, Barr, Lucy, Geraldo, Juliana A, Rezende, Pâmela M, Pires, Douglas E V and Ascher, David B (2021). Identifying genotype-phenotype correlations via integrative mutation analysis. Artificial neural networks. (pp. 1-32) edited by Hugh Cartwright. New York, NY, United States: Humana. doi: 10.1007/978-1-0716-0826-5_1 |
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2020 Journal Article Comparative transcriptomic analysis of antimony resistant and susceptible Leishmania infantum linesAndrade, Juvana Moreira, Goncalves, Leilane Oliveira, Liarte, Daniel Barbosa, Lima, Davi Alvarenga, Guimaraes, Frederico Goncalves, de Melo Resende, Daniela, Santi, Ana Maria Murta, de Oliveira, Luciana Marcia, Velloso, Joao Paulo Linhares, Delfino, Renato Guimaraes, Pescher, Pascale, Spath, Gerald F., Ruiz, Jeronimo Conceicao and Murta, Silvane Maria Fonseca (2020). Comparative transcriptomic analysis of antimony resistant and susceptible Leishmania infantum lines. Parasites & Vectors, 13 (1) 600. doi: 10.1186/s13071-020-04486-4 |
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2020 Journal Article ThermoMutDB: a thermodynamic database for missense mutationsXavier, Joicymara S, Nguyen, Thanh-Binh, Karmarkar, Malancha, Portelli, Stephanie, Rezende, Pâmela M, Velloso, João P L, Ascher, David B and Pires, Douglas E V (2020). ThermoMutDB: a thermodynamic database for missense mutations. Nucleic Acids Research, 49 (D1), D475-D479. doi: 10.1093/nar/gkaa925 |
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2020 Journal Article EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screeningPires, Douglas E V, Veloso, Wandré N P, Myung, YooChan, Rodrigues, Carlos H M, Silk, Michael, Rezende, Pâmela M, Silva, Francislon, Xavier, Joicymara S, Velloso, João P L, da Silveira, Carlos H and Ascher, David B (2020). EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening. Bioinformatics, 36 (14), 4200-4202. doi: 10.1093/bioinformatics/btaa480 |
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2020 Book Chapter A comprehensive computational platform to guide drug development using graph-based signature methodsPires, Douglas E. V., Portelli, Stephanie, Rezende, Pâmela M., Veloso, Wandré N. P., Xavier, Joicymara S., Karmakar, Malancha, Myung, Yoochan, Linhares, João P. V., Rodrigues, Carlos H. M., Silk, Michael and Ascher, David B. (2020). A comprehensive computational platform to guide drug development using graph-based signature methods. Structural bioinformatics: methods and protocols. (pp. 91-106) New York, NY, United States: Humana. doi: 10.1007/978-1-0716-0270-6_7 |
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2017 Journal Article Immunoinformatics Features Linked to Leishmania Vaccine Development: Data Integration of Experimental and In Silico StudiesBrito, Rory C. F., Guimaraes, Frederico G., Velloso, Joao P. L., Correa-Oliveira, Rodrigo, Ruiz, Jeronimo C., Reis, Alexandre B. and Resende, Daniela M. (2017). Immunoinformatics Features Linked to Leishmania Vaccine Development: Data Integration of Experimental and In Silico Studies. International Journal of Molecular Sciences, 18 (2) 371, 1-18. doi: 10.3390/ijms18020371 |
