First Attempts of the Use of 195Pt NMR of Phenylbenzothiazole Complexes as Spectroscopic Technique for the Cancer Diagnosis
Pereira, Bruna T. L., Gonçalves, Mateus A., Mancini, Daiana T., Kuca, Kamil, Ramalho, Teodorico C.
Published in Molecules (Basel, Switzerland) (02.11.2019)
Published in Molecules (Basel, Switzerland) (02.11.2019)
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Journal Article
Theoretical Studies Applied to the Evaluation of the DFPase Bioremediation Potential against Chemical Warfare Agents Intoxication
Soares, Flávia V, de Castro, Alexandre A, Pereira, Ander F, Leal, Daniel H S, Mancini, Daiana T, Krejcar, Ondrej, Ramalho, Teodorico C, da Cunha, Elaine F F, Kuca, Kamil
Published in International journal of molecular sciences (23.04.2018)
Published in International journal of molecular sciences (23.04.2018)
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Journal Article
Molecular Docking, Metal Substitution and Hydrolysis Reaction of Chiral Substrates of Phosphotriesterase
de Castro, Alexandre A, Caetano, Melissa S, Silva, Telles C, Mancini, Daiana T, Rocha, Eduardo Pereira, da Cunha, Elaine F F, Ramalho, Teodorico C
Published in Combinatorial chemistry & high throughput screening (01.01.2016)
Published in Combinatorial chemistry & high throughput screening (01.01.2016)
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Journal Article
Excited-State Proton Transfer Can Tune the Color of Protein Fluorescent Markers
Mancini, Daiana T., Sen, Kakali, Barbatti, Mario, Thiel, Walter, Ramalho, Teodorico C.
Published in Chemphyschem (16.11.2015)
Published in Chemphyschem (16.11.2015)
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Journal Article
In Silico Study of Leishmania donovani α-β Tubulin and Inhibitors
da Cunha, Elaine F. F., Ramalho, Teodorico C., Mancini, Daiana T., Assis, Tamiris M.
Published in Journal of chemistry (01.01.2014)
Published in Journal of chemistry (01.01.2014)
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Journal Article
Slight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: Theoretical and experimental aspects
Polisel, Daniel A., de Castro, Alexandre A., Mancini, Daiana T., da Cunha, Elaine F.F., França, Tanos C.C., Ramalho, Teodorico C., Kuca, Kamil
Published in Chemico-biological interactions (25.08.2019)
Published in Chemico-biological interactions (25.08.2019)
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Journal Article
Structural determination of Cu and Fe–Citrate complexes: theoretical investigation and analysis by ESI-MS
Bertoli, Alexandre C., Carvalho, Ruy, Freitas, Matheus P., Ramalho, Teodorico C., Mancini, Daiana T., Oliveira, Maria C., de Varennes, Amarílis, Dias, Ana
Published in Journal of inorganic biochemistry (01.03.2015)
Published in Journal of inorganic biochemistry (01.03.2015)
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Journal Article
Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents
Giacoppo, Juliana O.S., C.C. França, Tanos, Kuča, Kamil, Cunha, Elaine F.F. da, Abagyan, Ruben, Mancini, Daiana T., Ramalho, Teodorico C.
Published in Journal of biomolecular structure & dynamics (02.09.2015)
Published in Journal of biomolecular structure & dynamics (02.09.2015)
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Journal Article
99Tc NMR as a promising technique for structural investigation of biomolecules: theoretical studies on the solvent and thermal effects of phenylbenzothiazole complex
Mancini, Daiana T., Souza, Eugenio F., Caetano, Melissa S., Ramalho, Teodorico C.
Published in Magnetic resonance in chemistry (01.04.2014)
Published in Magnetic resonance in chemistry (01.04.2014)
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Journal Article
Theoretical spectroscopic studies and identification of metal-citrate (Cd and Pb) complexes by ESI-MS in aqueous solution
Bertoli, Alexandre C., Carvalho, Ruy, Freitas, Matheus P., Ramalho, Teodorico C., Mancini, Daiana T., Oliveira, Maria C., de Varennes, Amarílis, Dias, Ana
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (25.02.2015)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (25.02.2015)
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Journal Article
Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracis
Giacoppo, Juliana O.S., Mancini, Daiana T., Guimarães, Ana P., Gonçalves, Arlan S., da Cunha, Elaine F.F., França, Tanos C.C., Ramalho, Teodorico C.
Published in European journal of medicinal chemistry (16.02.2015)
Published in European journal of medicinal chemistry (16.02.2015)
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Journal Article
Asymmetric biocatalysis of the nerve agent VX by human serum paraoxonase 1: molecular docking and reaction mechanism calculations
Sartorelli, Jaqueline, de Castro, Alexandre A., Ramalho, Teodorico C., Giacoppo, Juliana O. S., Mancini, Daiana T., Caetano, Melissa S., da Cunha, Elaine F. F.
Published in Medicinal chemistry research (01.11.2016)
Published in Medicinal chemistry research (01.11.2016)
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Journal Article
Interactions of cantharidin-like inhibitors with human protein phosphatase-5 in a Mg2+ system: molecular dynamics and quantum calculations
Assis, Letícia C., de Castro, Alexandre A., Prandi, Ingrid G., Mancini, Daiana T., de Giacoppo, Juliana O. S., Savedra, Ranylson M. L., de Assis, Tamiris M., Carregal, Juliano B., da Cunha, Elaine F. F., Ramalho, Teodorico Castro
Published in Journal of molecular modeling (01.10.2018)
Published in Journal of molecular modeling (01.10.2018)
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Journal Article
Exploring EPR Parameters of 99Tc Complexes for Designing New MRI Probes: Coordination Environment, Solvent, and Thermal Effects on the Spectroscopic Properties
Mancini, Daiana T., Gonçalves, Mateus Aquino, Silva, Érika Ferreira, Pereira, Bruna T. L., Ramalho, Teodorico C.
Published in Journal of chemistry (01.01.2017)
Published in Journal of chemistry (01.01.2017)
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Journal Article
Exploring EPR Parameters of [sup.99]Tc Complexes for Designing New MRI Probes: Coordination Environment, Solvent, and Thermal Effects on the Spectroscopic Properties
Pereira, Bruna T.L, Silva, Erika Ferreira, Goncalves, Mateus A, Mancini, Daiana T, Ramalho, Teodorico C
Published in Journal of chemistry (01.01.2017)
Published in Journal of chemistry (01.01.2017)
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Journal Article
Molecular modeling studies on nucleoside hydrolase from the biological warfare agent Brucella suis
Mancini, Daiana T., Matos, Karina S., da Cunha, Elaine F.F., Assis, Tamiris M., Guimarães, Ana P., França, Tanos C.C., Ramalho, Teodorico C.
Published in Journal of biomolecular structure & dynamics (01.01.2012)
Published in Journal of biomolecular structure & dynamics (01.01.2012)
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Journal Article
Bonding, Structure, and Stability of Clusters: Some Surprising Results from an Experimental and Theoretical Investigation in Gas Phase
Melissa S. Caetano, Teodorico C. Ramalho, Tales G. Vieira, Arlan da Silva Gonçalves, Daiana T. Mancini, Elaine F. F. da Cunha
Published in Journal of chemistry (01.01.2013)
Published in Journal of chemistry (01.01.2013)
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Journal Article
First Attempts of the Use of 195 Pt NMR of Phenylbenzothiazole Complexes as Spectroscopic Technique for the Cancer Diagnosis
Pereira, Bruna T L, Gonçalves, Mateus A, Mancini, Daiana T, Kuca, Kamil, Ramalho, Teodorico C
Published in Molecules (Basel, Switzerland) (02.11.2019)
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Published in Molecules (Basel, Switzerland) (02.11.2019)
Journal Article
Theoretical and experimental investigation of complex structures citrate of zinc (II)
Bertoli, Alexandre C., Carvalho, Ruy, Freitas, Matheus P., Ramalho, Teodorico C., Mancini, Daiana T., Oliveira, Maria C., de Varennes, Amarílis, Dias, Ana
Published in Inorganica Chimica Acta (30.01.2015)
Published in Inorganica Chimica Acta (30.01.2015)
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