| Development of parameters compatible with the CHARMM36 force field for [Fe4S4]2+ clusters and molecular dynamics simulations of adenosine-5 … TU da Silva, KC Pougy, MG Albuquerque, CH da Silva Lima, SP Machado Journal of Biomolecular Structure and Dynamics 40 (8), 3481-3491, 2022 | 29 | 2022 |
| Electronic investigation of the effect of substituents on the SOD mimic activity of copper (II) complexes with 8-hydroxyquinoline-derived ligands TU da Silva, K de Carvalho Pougy, ET da Silva, CH da Silva Lima, ... Journal of Inorganic Biochemistry 217, 111359, 2021 | 9 | 2021 |
| Molecular modeling of indazole-3-carboxylic acid and its metal complexes (Zn, Ni, Co, Fe and Mn) as NO synthase inhibitors: DFT calculations, docking studies and molecular … TU da Silva, ET da Silva, K de Carvalho Pougy, CH da Silva Lima, ... Inorganic Chemistry Communications 135, 109120, 2022 | 7 | 2022 |
| Molecular dynamics simulations of aqueous systems of inhibitor candidates for adenosine-5’-phosphosufate reductase TU da Silva, KC Pougy, MG Albuquerque, CHS Lima, SP Machado Journal of Biomolecular Structure and Dynamics 41 (6), 2466-2477, 2023 | 6 | 2023 |
| A DFT study of cis-[Ru (NO)(NO2) bpy (dye) 2] n+ complexes as NO donors ET da Silva, TU da Silva, K de Carvalho Pougy, RB da Silveira, ... Inorganica Chimica Acta 510, 119724, 2020 | 3 | 2020 |
| 1 H, 15 N, and 13 C backbone and side chain resonance assignments of the cold shock domain of the Arabidopsis thaliana glycine-rich protein AtGRP2 KC Pougy, G Sachetto-Martins, FCL Almeida, AS Pinheiro Biomolecular NMR Assignments 17 (1), 143-149, 2023 | 1 | 2023 |
| Caracterização estrutural e da interação com DNA do domínio cold-shock da proteína AtGRP2 de Arabidopsis thaliana por Ressonância Magnética Nuclear KC Pougy Universidade Federal do Rio de Janeiro, 2021 | | 2021 |
| USE OF THE DENSITY FUNCTIONAL THEORY IN SPIN CROSSOVER ANALYSIS IN INORGANIC CHEMISTRY CLASSES KC Pougy, SP Machado Química Nova 43, 127-130, 2020 | | 2020 |
