| Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations JA Érica C. M. Nascimento, Mónica Oliva, Katarzyna Świderek, João B. L. Martins J. Chem. Inf. Model., 2017 | 33* | 2017 |
| Theoretical study of classical acetylcholinesterase inhibitors ÉCM Nascimento, JBL Martins, ML dos Santos, R Gargano Chemical Physics Letters 458 (4-6), 285-289, 2008 | 27 | 2008 |
| Electronic structure and PCA analysis of covalent and non-covalent acetylcholinesterase inhibitors ÉCM Nascimento, JBL Martins Journal of Molecular Modeling 17, 1371-1379, 2011 | 24 | 2011 |
| Saberes docentes interdisciplinares construídos na prática pedagógica E Nascimento, S Braz, M Castro Congresso internacional interdisciplinar em sociais e humanidades, 1-17, 2012 | 14 | 2012 |
| Organometallic gold (III) and platinum (II) complexes with thiosemicarbazone: Structural behavior, anticancer activity, and molecular docking CM Almeida, PH S. Marcon, ÉCM Nascimento, JBL Martins, MAS Chagas, ... Applied Organometallic Chemistry 36 (8), e6761, 2022 | 7 | 2022 |
| A binuclear copper (II) complex based on hydrazone ligand: Characterization, molecular docking, and theoretical and antimicrobial investigation PHO Santiago, EA Duarte, ÉCM Nascimento, JBL Martins, MS Castro, ... Applied Organometallic Chemistry 36 (1), e6461, 2022 | 7 | 2022 |
| Ab-initio study of spin-orbit effect on 175Lu19F spectroscopy J Assaf, S Zeitoun, A Safa, ECM Nascimento Journal of Molecular Structure 1178, 458-466, 2019 | 7 | 2019 |
| CM; Oliva, M.; Świderek, K.; Martins, JBL; Andrés, J É Nascimento Binding analysis of some classical acetylcholinesterase inhibitors: insights …, 2017 | 7 | 2017 |
| Pharmacophoric Profile: Design of New Potential Drugs with PCA Analysis ÉCM Nascimento, JBL Martins Edited by Parinya Sanguansat, 59, 2012 | 7 | 2012 |
| CM; Martins, JBL; dos Santos, ML; Gargano, R É Nascimento Chem. Phys. Lett 458, 285, 2008 | 7 | 2008 |
| Microscale Determination of Vitamin C by Weight Titrimetry ECN Gaston A. East Journal of chemical education 79 (1), 100, 2002 | 7 | 2002 |
| In silico study of tacrine and acetylcholine binding profile with human acetylcholinesterase: docking and electronic structure LA Nascimento, ÉCM Nascimento, JBL Martins Journal of Molecular Modeling 28 (9), 252, 2022 | 5 | 2022 |
| Theoretical study of LuH molecule: Potential energy curves, spectroscopic constants and spin-orbit couplings J Assaf, FEH Hassan, ÉCM Nascimento, A Haydar Computational and Theoretical Chemistry 1128, 31-41, 2018 | 5 | 2018 |
| Electronic and structural study of T315I mutated form in DFG-out conformation of BCR-ABL inhibitors WA Pereira, ÉCM Nascimento, JBL Martins Journal of Biomolecular Structure and Dynamics 40 (20), 9774-9788, 2022 | 4 | 2022 |
| Investigation on the interaction behavior of afatinib, dasatinib, and imatinib docked to the BCR-ABL protein KML Rocha, ÉCM Nascimento, JBL Martins Journal of molecular modeling 27, 1-12, 2021 | 4 | 2021 |
| Determinação teórica de propriedades relevantes para a atividade de inibidor da acetilcolinesterase ÉCM Nascimento | 4 | 2009 |
| Dithiocarbazate ligands and their Ni (II) complexes with potential biological activity: Structural, antitumor and molecular docking study CQO Cavalcante, THA da Mota, DM de Oliveira, ÉCM Nascimento, ... Frontiers in Molecular Biosciences 10, 1146820, 2023 | 3 | 2023 |
| Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase ÉCM Nascimento, M Oliva, J Andrés Journal of Computer-Aided Molecular Design, 1-16, 2018 | 2 | 2018 |
| Effects of changing ions on the crystal design, non-covalent interactions, antimicrobial activity, and molecular docking of Cu (II) complexes with a pyridoxal-hydrazone ligand CC Gatto, LM Dias, CA Paiva, ICR da Silva, DO Freire, RPI Tormena, ... Frontiers in Chemistry 12, 1347370, 2024 | 1 | 2024 |
| Docking and Electronic Structure of Rutin, Myricetin, and Baicalein Targeting 3CLpro SAS Farias, KML Rocha, ÉCM Nascimento, RCC de Jesus, PR Neres, ... International Journal of Molecular Sciences 24 (20), 15113, 2023 | 1 | 2023 |
