Characterization of the structural, spectroscopic, nonlinear optical, electronic properties and antioxidant activity of the N-{4’-[(E)-3-(Fluorophenyl)-1-(phenyl)-prop-2-en-1 … FWQ Almeida-Neto, LP da Silva, MKA Ferreira, FRS Mendes, ... Journal of Molecular Structure 1220, 128765, 2020 | 30 | 2020 |
Quantum computational investigations and molecular docking studies on amentoflavone MM Marinho, FWQ Almeida-Neto, EM Marinho, LP da Silva, RR Menezes, ... Heliyon 7 (1), 2021 | 27 | 2021 |
Effect of additives on the oxidative stability and corrosivity of biodiesel samples derived from babassu oil and residual frying oil: An experimental and theoretical assessment NVP Rangel, LP da Silva, VS Pinheiro, IM Figueredo, OS Campos, ... Fuel 289, 119939, 2021 | 18 | 2021 |
A potential bio-antioxidant for mineral oil from cashew nutshell liquid: an experimental and theoretical approach RSF Paula, RS Vieira, FMT Luna, CL Cavalcante, IM Figueredo, ... Brazilian Journal of Chemical Engineering 37, 369-381, 2020 | 18 | 2020 |
Quantum mechanical, molecular docking, molecular dynamics, ADMET and antiproliferative activity on Trypanosoma cruzi (Y strain) of chalcone (E)-1-(2-hydroxy-3, 4, 6 … MGC Matos, LP da Silva, FWQ Almeida-Neto, EM Marinho, TL Sampaio, ... Physical Chemistry Chemical Physics 24 (8), 5052-5069, 2022 | 8 | 2022 |
Antioxidant and anticholinesterase activities of amentoflavone isolated from Ouratea fieldingiana (Gardner) Engl. through in vitro and chemical-quantum studies LS Frota, DR Alves, MM Marinho, LP da Silva, FWQ Almeida Neto, ... Journal of Biomolecular Structure and Dynamics 41 (4), 1206-1216, 2023 | 7 | 2023 |
Estudo Dft Do Alcaloide Dicentrina: Gap, Homo, Lumo, Mesp E Mulliken L Paes, WL Santos, MM Marinho, ES Marinho JOIN, 2017 | 6 | 2017 |
In Silico Study of Antidepressant Drug Vortioxetine: A Descrip-tion of their Physical Chemistry Properties using Classical Mo-lecular Mechanics Methods MMFF94 LP Da Silva, EM Marinho, MM Marinho Int. J. Recent Res. Rev 1 (1), 7-13, 2018 | 4 | 2018 |
A theoretical and experimental study of phosphate ester inhibitors for AISI 1018 in carbon dioxide‐saturated 3.5 wt% NaCl solution RB Vasques, MM Levy, MS Rodrigues, FW de Queiroz Almeida Neto, ... Materials and Corrosion 72 (8), 1417-1432, 2021 | 3 | 2021 |
Synthesis of a new quinine dimer biocatalysed by the coconut water AM Fonseca, LP Silva, FWQ Almeida-Neto, RP Colares, ... Biocatalysis and Biotransformation 40 (3), 209-218, 2022 | 2 | 2022 |
Sulfonamide derived from anacardic acid as potential antichagasic: a theoretical approach based on molecular docking, molecular dynamics, and density functional theory calculations LP Da Silva, FWQ Almeida-Neto, LL Bezerra, J Silva, NKV Monteiro, ... Journal of Molecular Modeling 29 (5), 165, 2023 | 1 | 2023 |
Influence study of cationic surfactant, temperature, and current on the electrocoagulation process for removal of Remazol Red RB 133 by central composite design and response … LTV da Silva, JVC Crisóstomo, LP da Silva, NKV Monteiro, JT Oliveira, ... Journal of Solid State Electrochemistry, 1-27, 2024 | | 2024 |
On the role of water in antimony electrodeposition from choline chloride/ethylene glycol/water mixture AAC Alcanfor, LP da Silva, RC de Oliveira, GA Paulo, CP Sousa, ... Journal of Molecular Liquids 399, 124416, 2024 | | 2024 |
In silico and Experimental Assessments Applied to Preliminary Identification of New Illicit Substances Structures KPS Lopes, MCC Lucena, TIB Lopes, ÁRL Silva, LP Silva, NKV Monteiro, ... Journal of the Brazilian Chemical Society 35 (1), e-20230090, 2024 | | 2024 |
Structure and graph-based virtual screening in pharmacodynamics, pharmacokinetics and antioxidant activity of the Castanol B against AKR1C2 prostate cancer target MN Rocha, LL Bezerra, LP Silva, FWQ Almeida-Neto, MM Marinho, ... | | 2022 |
International Journal of Engineering Technology Research & Management CL de Morais Filho, EM Marinho, LP da Silva, MM Marinho, ES Marinho | | |