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Data do documentoTítuloAutor(es)
Nov-2018Structure and bonding in NbX5 X = (F, Cl, Br and I) complexes: a molecular orbital perspective in the C-H bond activationSilva, Telles Cardoso; Pires, Maíra dos Santos; Castro, Alexandre Alves de; Lacerda, Lívia Clara Tavares; Rocha, Marcus Vinícius Juliaci; Ramalho, Teodorico Castro
Fev-2016Probing the ESIPT process in 2-amino-1,4-naphthoquinone: thermodynamics properties, solvent effect and chemometric analysisRocha, Eduardo Pereira; Ramalho, Teodorico Castro
Jan-2020Synthesis and special characterization through X-ray analysis of 1,8-dioxooctahydroxanthenesSilva, Milene Lopes da; Teixeira, Róbson Ricardo; Azevedo Santos, Lucas de; Martins, Felipe Terra; Ramalho, Teodorico Castro
2022Association phosphite x fungicide: protection against powdery mildew in soybean plants, translocation and computer simulationVilela, Ariana Elisei; Resende, Mário Lúcio Vilela de; Medeiros, Fernanda Carvalho Lopes de; Pereira, Matheus Henrique de Brito; Santiago, Wilder Douglas; Santos, Lucas de Azevedo; Botelho, Deila Magna dos Santos; Ramalho, Teodorico Castro
Nov-2016Structure-based drugs design studies on spleen tyrosine kinase inhibitorsAssis, Letícia Cristina; Garcia, Letícia Santos; Mancini, Daiana Teixeira; Assis, Tamiris Maria; Silva, Daniela Rodrigues; Cardoso, Giovanna Gajo; Castro, Alexandre Alves de; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
12-Jan-2021Value of NMR relaxation parameters of diamagnetic molecules for quantum information processing: optimizing the coherent phaseLino, Jéssica Boreli dos Reis; Gonçalves, Mateus Aquino; Ramalho, Teodorico Castro
15-Mar-2018Structural analysis of two tetraketones and theoretical investigation of the reactions involved in their preparationSilva, Milene Lopes da; Teixeira, Róbson Ricardo; Santos, Lucas de Azevedo; Martins, Felipe Terra; Ramalho, Teodorico Castro
2016QSAR models guided by molecular dynamics applied to human glucokinase activatorsAssis, Tamiris Maria de; Gajo, Giovanna Cardoso; Assis, Letícia Cristina de; Garcia, Letícia Santos; Silva, Daniela Rodrigues; Ramalho, Teodorico Castro; Cunha, Elaine Fontes Ferreira da
2020Theoretical studies aimed at finding FLT3 inhibitors and a promising compound and molecular pattern with dual aurora B/FLT3 activityFernandes, Ítalo Antônio; Resende, Déborah Braga; Ramalho, Teodorico Castro; Kuca, Kamil; Cunha, Elaine Fontes Ferreira da
2014Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methodsGonçalves, Arlan da Silva; França, Tanos Celmar Costa; Caetano, Melissa Soares Melissa Soares; Ramalho, Teodorico Castro