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Data do documentoTítuloAutor(es)
2010Description of the acid/base behavior of organic phosphines using ab initio and chemometric approachesSantiago, Regis T.; La Porta, Felipe A.; Rocha, Marcus V. J.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
2022Theoretical construction of thermodynamic relations for a solvent-controlled phase transition to improve the bioavailability of drugs: a case study of indomethacinBrito, Kelvyn P. S. de; Braga, Letícia S.; Ramalho, Teodorico C.; Cardoso, Tatiana R.; Cunha, Elaine F. F. da
Mar-2014Computer-assisted design of dual-target anti-HIV-1 compoundsGuimarães, Maria C.; Silva, Daniel G.; Mota, Estella G. da; Cunha, Elaine F. F. da; Freitas, Matheus P.
Jun-2019The role of intramolecular interactions on the bioactive conformation of epinephrineSilva, Daniela R.; Silla, Josué M.; Santos, Lucas A.; Cunha, Elaine F. F. da ; Freitas, Matheus P.
2010Molecular modeling of Mycobacterium tuberculosis DNA gyrase and its molecular docking study with gatifloxacin inhibitorsCunha, Elaine F. F. da; Barbosa, Edilaine F.; Oliveira, Aline A.; Ramalho, Teodorico C.
2012Molecular modeling of the toxoplasma gondii adenosine kinase inhibitorsMancini, Daiana Teixeira; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Freitas, Matheus P.
Jul-2012Computer-assisted assessment of potentially useful non-peptide HIV-1 protease inhibitorsDeeb, Omar; Cunha, Elaine F. F. da; Cormanich, Rodrigo A.; Ramalho, Teodorico C.; Freitas, Matheus P.
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.
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.
Set-2010The role of the Frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniquesLa Porta, Felipe A.; Santiago, Regis T.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da