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Jul-2023Parameterization and validation of a new AMBER force field for an oxovanadium (IV) complex with therapeutic potential implications in Alzheimer's diseaseTavares, Camila A.; Santos, Taináh M. R.; Cunha, Elaine F. F. da; Ramalho, Teodorico de Castro
Out-2015Probing thermal and solvent effects on hyperfine interactions and spin relaxation rate of δ-FeOOH(100) and [MnH3buea(OH)]2-: toward new MRI probesGonçalves, Mateus A.; Cunha, Elaine F. F. da; Peixoto, Fernando C.; Ramalho, Teodorico C.
2013QSAR and docking studies of HCV NS3 serine protease inhibitorsCunha, Elaine F. F. da; Matos, Karina S.; Ramalho, Teodorico C.
Nov-2010QSAR and docking studies of novel antileishmanial diaryl sulfides and sulfonamidesGoodarzi, Mohammad; Cunha, Elaine F. F. da; Freitas, Matheus P.; Ramalho, Teodorico C.
Dez-2009QSAR study of androstenedione analogs as aromatase inhibitorsOliveira, Aline A.; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
Jan-2022QSAR-Guided Proposition of N-(4-methanesulfonyl)Benzoyl-N’-(Pyrimidin-2-yl)Thioureas as Effective and Safer HerbicidesRodrigues, Natânia E.; Faria, Adriana C. de; Pereira, Ingrid V.; Cunha, Elaine F. F. da; Freitas, Matheus P.
2015Quantum chemical topological analysis of hydrogen bonding in HX... HX and CH3X... HX dimers (X = Br, Cl, F)Cormanich, Rodrigo A.; Santiago, Régis T.; La Porta, Felipe A.; Freitas, Matheus P.; Rittner, Roberto; Cunha, Elaine F. F. da; Andres, Juan; Longo, Elson; Ramalho, Teodorico C.
29-Ago-2012Rational design of small modified peptides as ACE inhibitorsSilva, Daniel G.; Freitas, Matheus P.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Nunes, Cleiton A.
2019Recent developments in metal-based drugs and chelating agents for neurodegenerative diseases treatmentsSales, Thais A.; Prandi, Ingrid G.; Castro, Alexandre A. de; Leal, Daniel H. S.; Cunha, Elaine F. F. da; Kuca, Kamil; Ramalho, Teodorico C.
2023Silver(I) and Copper(II) 1,10-Phenanthroline-5,6-dione complexes as promising antivirulence strategy against Leishmania: focus on Gp63 (Leishmanolysin)Oliveira, Simone S. C.; Correia, Claudyane A.; Santos, Vanessa S.; Cunha, Elaine F. F. da; Castro, Alexandre A. de; Ramalho, Teodorico de Castro; Devereux, Michael; McCann, Malachy; Branquinha, Marta H.; Santos, André L. S.
Ago-2019Slight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: theoretical and experimental aspectsPolisel, Daniel A.; Castro, Alexandre A. de; Mancini, Daiana T.; Cunha, Elaine F. F. da; França, Tanos C. C.; Ramalho, Teodorico C.; Kuca, Kamil
Mar-2019Structure‐based virtual screening and synthesis of Mn2+ complexes of benzothiazole derivatives for designing new MRI probesRosa, Isael Aparecido; Giacoppo, Juliana de Oliveira Silva ; Cunha, Elaine F. F. da ; Fernandes, Ítalo Antônio; Horvath, Renato de Oliveira ; Ionta, Marisa; Santos, Marcelo Henrique dos ; Ramalho, Teodorico C.
Jun-2018Synergism of plant compound with traditional antimicrobials against Streptococcus spp. isolated from Bovine MastitisMaia, Natasha L.; Barros, Mariana de; Oliveira, Leandro L. de; Cardoso, Silvia A.; Santos, Marcelo H. dos; Pieri, Fabio A.; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; Moreira, Maria A. S.
12-Set-2014Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1,2,3-triazole moietyFreitas, Luiza B. de O.; Borgati, Thiago F.; Freitas, Rossimiriam P. de; Ruiz, Ana L. T. G.; Marchetti, Gabriela M.; Carvalho, João E. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Alves, Rosemeire B.
2016Synthesis, structural characterization, and thermal properties of the poly(methylmethacrylate)/δ-FeOOH hybrid material: an experimental and theoretical studyCorrêa, Silviana; Lacerda, Lívia C. T.; Pires, Maíra dos S.; Rocha, Marcus V. J.; Nogueira, Francisco G. E.; Silva, Adilson C. da; Pereira, Marcio C.; Brito, Angela D. B. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2009The molecular basis for the behaviour of niobia species in oxidation reaction probed by theoretical calculations and experimental techniquesRamalho, Teodorico C.; Oliveira, Luiz C. A.; Carvalho, Kele T. G.; Souza, Eugênio F.; Cunha, Elaine F. F. da; Nazzaro, Marcelo
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.
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
2009The search for new COX-2 inhibitors: a review of 2002 - 2008 patentsRamalho, Teodorico C.; Rocha, Marcus V. J.; 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