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Data do documentoTítuloAutor(es)
4-Jun-2021The pnictogen bond: a quantitative molecular orbital pictureSantos, Lucas de Azevedo; Hamlin, Trevor A.; Ramalho, Teodorico C.; Bickelhaupt, F. Matthias
18-Mar-2021Computational evidence for nitro derivatives of quinoline and quinoline N-oxide as low-cost alternative for the treatment of SARS-CoV-2 infectionAssis, Letícia C.; Castro, Alexandre A. de; Jesus, João P. A. de; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.; La Porta, Felipe A.
2022New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 VirusCastro, Alexandre A. de; Assis, Letícia C.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; La Porta, Felipe A.
Abr-2020Detection of chemical weapon agents using spectroscopic probes: a computational studyBraga, Letícia S.; Silva, Érika F.; Mancini, Daiana T.; Rocha, Eduardo P. da; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
12-Abr-2021Hybrid materials based on magnetic iron oxides with benzothiazole derivatives: a plausible potential spectroscopy probeCorrêa, Silviana; Rosa, Isael Aparecido; Andolpho, Gustavo A.; Assis, Letícia Cristina de; Pires, Maíra dos S.; Lacerda, Lívia C. T.; Nogueira, Francisco G. E.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.
2020Perspectives on the role of the frontier effective-for-reaction molecular orbital (FERMO) in the study of chemical reactivity: an updated reviewBraga, Letícia S.; Leal, Daniel H. S.; Kuca, Kamil; Ramalho, Teodorico C.
2020Understanding the interaction modes and reactivity of trimedoxime toward MmAChE inhibited by nerve agents: theoretical and experimental aspectsCastro, Alexandre A. de; Polisel, Daniel A.; Pereira, Bruna T. L.; Cunha, Elaine F. F. da; Kuca, Kamil; Nepovimova, Eugenie; Ramalho, Teodorico C.
9-Out-2021In silico studies of potential selective inhibitors of thymidylate kinase from Variola virusGarcia, Danielle R.; Souza, Felipe R.; Guimarães, Ana P.; Valis, Martin; Pavelek, Zbyšek; Kuca, Kamil; Ramalho, Teodorico C.; França, Tanos C. C.