Browsing by Author Silva, Daniela Rodrigues

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Showing results 1 to 14 of 14
Issue DateTitleAuthor(s)
Jun-20144D-QSAR Model for Compounds with Binding Affinity Towards Dopamine D2 ReceptorsSilva, Daniela Rodrigues; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
2019Asymmetric biodegradation of the nerve agents Sarin and VX by human dUTPase: chemometrics, molecular docking and hybrid QM/MM calculationsCastro, Alexandre A. de; Soares, Flávia Villela; Pereira, Ander Francisco; Silva, Telles Cardoso; Silva, Daniela Rodrigues; Mancini, Daiana Teixeira; Caetano, Melissa Soares; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
29-Dec-2021Conformation and bonding: theoretical studies on conformational effects and Lewis pair stabilitySilva, Daniela Rodrigues
Oct-2020Conformational preferences of fluorine-containing agrochemicals and their implications for lipophilicity predictionSilva, Daniela Rodrigues; Daré, Joyce K.; Freitas, Matheus P.
1-Sep-2021Dipolar repulsion in α-halocarbonyl compounds revisitedSilva, Daniela Rodrigues; Santos, Lucas de Azevedo; Hamlin, Trevor A.; Bickelhaupt, F. Matthias; Freitas, Matheus P.; Guerra, Célia Fonseca
Feb-2020Evaluation of the Alicyclic Gauche Effect in 2‐Fluorocyclohexanone Analogs: a Combined NMR and DFT StudySilva, Daniela Rodrigues; Zeoly, Lucas André; Cormanich, Rodrigo Antonio; Guerra, Célia Fonseca; Freitas, Matheus Puggina de
11-May-2017Modelos de QSAR aplicados à atividade antidepressiva de derivados de hexahidro-pirrolo-isoquinolinaSilva, Daniela Rodrigues
Jul-2019Molecular modelling of potential candidates for the treatment of depressionSilva, Daniela Rodrigues; Barigye, Stephen J.; Santos‐Garcia, Letícia; Cunha, Elaine Fontes Ferreira da
Mar-2018Multi-objective optimization of benzamide derivatives as RHO kinase inhibitorsGajo, Giovanna Cardoso; Silva, Daniela Rodrigues; Barigye, Stephen J.; Cunha, Elaine Fontes Ferreira da
Oct-2020Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen TrihalidesSilva, Daniela Rodrigues; Santos, Lucas de Azevedo; Freitas, Matheus P.; Guerra, Célia Fonseca; Hamlin, Trevor A.
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
2017QSPR Models of β-dihydroagarofuran derivatives: exploring lead compounds for pesticidesCunha, Elaine Fontes Ferreira da; Silva, Daniela Rodrigues; Santos-Garcia, Letícia; Assis, Letícia Cristina; Assis, Tamiris Maria de; Gajo, Giovanna Cardoso; 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
8-Feb-2021The gauche effect in XCH2CH2X revisitedSilva, Daniela Rodrigues; Santos, Lucas de Azevedo; Hamlin, Trevor A.; Guerra, Célia Fonseca; Freitas, Matheus P.; Bickelhaupt, Matthias