| Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study MCP Lima, K Coutinho, S Canuto, WR Rocha The Journal of Physical Chemistry A 110 (22), 7253-7261, 2006 | 56 | 2006 |
| Effect of Vitamin K3 Inhibiting the Function of NorA Efflux Pump and Its Gene Expression on Staphylococcus aureus SR Tintino, VCA Souza, JMA Silva, CDM Oliveira-Tintino, PS Pereira, ... Membranes 10 (6), 130, 2020 | 44 | 2020 |
| Reaction mechanism of the dengue virus serine protease: a QM/MM study MCP Lima, GM Seabra Physical Chemistry Chemical Physics 18 (44), 30288-30296, 2016 | 18 | 2016 |
| The Role of the Conformational Dynamics of Glutathione S-Transferase Epsilon Class on Insecticide Resistance in Anopheles gambiae FJS Pontes, RT Maia, MCP Lima, CFJ Ayres, TA Soares Journal of the Brazilian Chemical Society 27 (9), 1602-1615, 2016 | 8 | 2016 |
| Antibacterial effect and evaluation of the inhibitory effect against efflux pump in Staphylococcus aureus by abietic acid: In vitro and in silico assays Process Biochemistry 122 (2), 363-372, 2022 | 6 | 2022 |
| Evaluating the accuracy of the AMBER protein force fields in modeling dihydrofolate reductase structures: misbalance in the conformational arrangements of the flexible loop domains O Love, MC Pacheco Lima, C Clark, S Cornillie, S Roalstad, ... Journal of Biomolecular Structure and Dynamics 41 (13), 5946-5960, 2023 | 4 | 2023 |
| Indirect inhibitory activity of pyrogallol against the Tet (K) efflux pump by a membrane effect: In vitro and in silico approach JFS dos Santos, NS Macedo, DL de Sousa Junior, CRB dos Santos, ... Process Biochemistry 107, 138-144, 2021 | 3 | 2021 |
| Molecular Modeling of Single-and Double-Hydrocarbon-Stapled Coiled-Coil Inhibitors against Bcr-Abl: Toward a Treatment Strategy for CML MCP Lima, BD Hornsby, CS Lim, TE Cheatham III The Journal of Physical Chemistry B 128 (27), 6476-6491, 2024 | | 2024 |
| Supplementary Information for: Reaction Mechanism of the Dengue Virus Serine Protease: A QM/MM study MCP Lima, GM Seabra | | |
