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Data do documentoTítuloAutor(es)
12-Out-2010Molecular modeling of Mycobacterium tuberculosis dUTpase: docking and catalytic mechanism studiesRamalho, Teodorico C.; Caetano, Melissa S.; Josa, Daniela; Luz, Gustavo P.; Freitas, Elisangela A.; Cunha, Elaine F. F. da
Nov-2011Analysis of Bacillus anthracis nucleoside hydrolase via in silico docking with inhibitors and molecular dynamics simulationGuimarães, Ana P.; Oliveira, Aline A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; França, Tanos C. C.
Jul-2018Design of novel N-myristoyltransferase inhibitors of leishmania donovani using four-dimensional quantitative structure-activity relationship analysisSantos-Garcia, Letícia; Silva, Daniela R.; Assis, Letícia C.; Assis, Tamiris M. de; Gajo, Giovanna C.; Fernandes, Ítalo Antônio; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
2023Evaluation of autophagy inhibition to combat cancer: (vanadium complex)-protein interactions, parameterization, and validation of a new force fieldSantos, Taináh M. R.; Tavares, Camila A.; Pereira, Ander F.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2023Molecular dynamics-assisted interaction of vanadium complex-AMPK: from force field development to biological application for Alzheimer’s treatmentTavares, Camila A.; Santos, Taináh M. R.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2023MIA-QSAR study of the structural merging of (thio)benzamide herbicides with photosynthetic system II inhibitory activitiesPereira, Ingrid V.; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
2023Exploring electronic, structural and dynamics parameters of phenylbenzothiazole complexes with Mn2+, Cu2+ and Zn2+ for designing new magnetic resonance imaging (MRI) probes: congruence between computation and spectroscopic dataRosa, Isael Aparecido; Gonçalves, Mateus A. ,; Krambrock, Klaus Wilhelm Heinrich; Santos, Marcelo Henrique dos; Braga, Letícia S.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Ago-2023Multivariate image analysis applied to quantitative structure-activity relationships and docking studies of recent hydroxyphenylpyruvate deoxygenase inhibitorsCapucho, Luiz R.; Pereira, Ingrid V.; Faria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
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.
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