Improved Protocol for the Selection of Structures from Molecular Dynamics of Organic Systems in Solution: The Value of Investigating Different Wavelet Families
Gonçalves, Mateus A., Gonçalves, Arlan S., Franca, Tanos C. C., Santana, Mozarte S., da Cunha, Elaine F. F., Ramalho, Teodorico C.
Published in Journal of chemical theory and computation (11.10.2022)
Published in Journal of chemical theory and computation (11.10.2022)
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Boron as a promoter in the goethite (α-FeOOH) phase: Organic compound degradation by Fenton reaction
Mesquita, Aline M., Guimarães, Iara R., Castro, Guilherme M.M.de, Gonçalves, Mateus A., Ramalho, Teodorico C., Guerreiro, Mário C.
Published in Applied catalysis. B, Environmental (05.09.2016)
Published in Applied catalysis. B, Environmental (05.09.2016)
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Journal Article
Enhanced Sampling in Molecular Dynamics Simulations: How Many MD Snapshots can be Needed to Reproduce the Biological Behavior?
Tavares, Camila A, Santos, Taináh M R, Gonçalves, Mateus A, da Cunha, Elaine F F, Ramalho, Teodorico C
Published in Mini reviews in medicinal chemistry (01.01.2024)
Published in Mini reviews in medicinal chemistry (01.01.2024)
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NMR relaxation and relaxivity parameters of MRI probes revealed by optimal wavelet signal compression of molecular dynamics simulations
Gonçalves, Mateus A., Santos, Lizandro S., Peixoto, Fernando C., Ramalho, Teodorico C.
Published in International journal of quantum chemistry (15.05.2019)
Published in International journal of quantum chemistry (15.05.2019)
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Journal Article
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
Optimal wavelet signal compression as an efficient alternative to investigate molecular dynamics simulations: application to thermal and solvent effects of MRI probes
Gonçalves, Mateus A., Santos, Lizandro S., Prata, Diego M., Peixoto, Fernando C., da Cunha, Elaine F. F., Ramalho, Teodorico C.
Published in Theoretical chemistry accounts (2017)
Published in Theoretical chemistry accounts (2017)
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Journal Article
Investigating an efficient and accurate protocol for sampling structures from molecular dynamics simulations: a close look by different wavelet families
Gonçalves, Mateus A., Júnior, Arismar M. G., da Cunha, Elaine F. F., Ramalho, Teodorico C.
Published in Theoretical chemistry accounts (01.08.2021)
Published in Theoretical chemistry accounts (01.08.2021)
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Journal Article
Exploring 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 data
Rosa, Isael Aparecido, Gonçalves, Mateus A., Krambrock, Klaus Wilhelm Heinrich, dos Santos, Marcelo Henrique, Braga, Letícia S., da Cunha, Elaine F. F., Ramalho, Teodorico C.
Published in Journal of biomolecular structure & dynamics (24.05.2023)
Published in Journal of biomolecular structure & dynamics (24.05.2023)
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Removal of Sodium Diclofenac from Aqueous Medium Using Layered Double Hydroxide: a Thermodynamic and Theoretical Approach
Bruziquesi, Carlos G. O., Xavier, Farlon F. S., da S. Pacheco, Ingrid, do Amaral, Fábio A., Canobre, Sheila C., Gonçalves, Mateus A., Ramalho, Teodorico C., Saavedra, Liz M., Gurgel, Leandro V. A., Silva, Adilson C.
Published in Water, air, and soil pollution (01.09.2022)
Published in Water, air, and soil pollution (01.09.2022)
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Improving the Path to Obtain Spectroscopic Parameters for the PI3K—(Platinum Complex) System: Theoretical Evidences for Using 195Pt NMR as a Probe
Santos, Taináh M. R., Andolpho, Gustavo A., Tavares, Camila A., Gonçalves, Mateus A., Ramalho, Teodorico C.
Published in Magnetochemistry (01.04.2023)
Published in Magnetochemistry (01.04.2023)
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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
Use of Ethylenediaminetetraacetic Acid as a Scavenger for Chromium from “Wet Blue” Leather Waste: Thermodynamic and Kinetics Parameters
da Cunha, Elaine F. F., Oliveira, Luiz C. A., Gonçalves, Mateus Aquino, Resende, José E., Ramalho, Teodorico C.
Published in Journal of chemistry (01.01.2014)
Published in Journal of chemistry (01.01.2014)
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Solvent effects on the graphite surface targeting the construction of voltammetric sensors with potential applications in pharmaceutical area
Vilela, Thainá M., Gonçalves, Mateus A., Martins, Roberta C., Bazzana, Matheus J. F., Saczk, Adelir A., Ramalho, Teodorico C., Felix, Fabiana S.
Published in Electroanalysis (New York, N.Y.) (01.11.2023)
Published in Electroanalysis (New York, N.Y.) (01.11.2023)
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Journal Article
Exploring electronic, structural and dynamics parameters of phenylbenzothiazole complexes with Mn 2+ , Cu 2+ and Zn 2+ for designing new magnetic resonance imaging (MRI) probes: congruence between computation and spectroscopic data
Rosa, Isael Aparecido, Gonçalves, Mateus A, Krambrock, Klaus Wilhelm Heinrich, Dos Santos, Marcelo Henrique, Braga, Letícia S, da Cunha, Elaine F F, Ramalho, Teodorico C
Published in Journal of biomolecular structure & dynamics (24.05.2023)
Published in Journal of biomolecular structure & dynamics (24.05.2023)
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Synthesis and comparison of antileishmanial and cytotoxic activities of S-(−)-limonene benzaldehyde thiosemicarbazones with their R-(+)-analogues
Almeida Batista, Sabrina A., Vandresen, Fábio, Falzirolli, Hugo, Britta, Elizandra, de Oliveira, Diogo N., Catharino, Rodrigo R., Gonçalves, Mateus A., Ramalho, Teodorico C., La Porta, Felipe A., Nakamura, Celso V., da Silva, Cleuza C.
Published in Journal of molecular structure (05.03.2019)
Published in Journal of molecular structure (05.03.2019)
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Journal Article
Probing thermal and solvent effects on hyperfine interactions and spin relaxation rate of δ-FeOOH(100) and [MnH3buea(OH)]2−: Toward new MRI probes
Gonçalves, Mateus A., da Cunha, Elaine F.F., Peixoto, Fernando C., Ramalho, Teodorico C.
Published in Computational and theoretical chemistry (01.10.2015)
Published in Computational and theoretical chemistry (01.10.2015)
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Journal Article
Improving the Path to Obtain Spectroscopic Parameters for the PI3K— System: Theoretical Evidences for Using [sup.195]Pt NMR as a Probe
Santos, Taináh M. R, Andolpho, Gustavo A, Tavares, Camila A, Gonçalves, Mateus A, Ramalho, Teodorico C
Published in Magnetochemistry (01.04.2023)
Published in Magnetochemistry (01.04.2023)
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