| Synthesis, molecular modeling studies and evaluation of antifungal activity of a novel series of thiazole derivatives CI Lino, IG de Souza, BM Borelli, TTS Matos, INS Teixeira, JP Ramos, ... European Journal of Medicinal Chemistry 151, 248-260, 2018 | 150 | 2018 |
| Recent advances in the prediction of pharmacokinetics properties in drug design studies: a review SQ Pantaleão, PO Fernandes, JE Gonçalves, VG Maltarollo, KM Honorio ChemMedChem 17 (1), e202100542, 2022 | 122* | 2022 |
| HQSAR and random forest-based QSAR models for anti-T. vaginalis activities of nitroimidazoles derivatives GC Verissimo, EFM Dutra, ALT Dias, P de Oliveira Fernandes, ... Journal of Molecular Graphics and Modelling 90, 180-191, 2019 | 34 | 2019 |
| Non-structural protein 5 (NS5) as a target for antiviral development against established and emergent flaviviruses PO Fernandes, MA Chagas, WR Rocha, AH Moraes Current Opinion in Virology 50, 30-39, 2021 | 18 | 2021 |
| Molecular insights on ABL kinase activation using tree-based machine learning models and molecular docking PO Fernandes, DM Martins, A de Souza Bozzi, JPA Martins, ... Molecular Diversity 25 (3), 1301-1314, 2021 | 18 | 2021 |
| Ligand‐ and Structure‐Based Approaches of Escherichia coli FabI Inhibition by Triclosan Derivatives: From Chemical Similarity to Protein Dynamics Influence T Kronenberger, P de Oliveira Fernades, I Drumond Franco, A Poso, ... ChemMedChem 14 (23), 1995-2004, 2019 | 11 | 2019 |
| Cyclometalated ruthenium complexes from naturally occurring quinones: studies on their photophysical features, computational details and trypanocidal activity CM de Souza, RC Silva, PO Fernandes, JD de Souza Filho, HA Duarte, ... New Journal of Chemistry 41 (10), 3723-3731, 2017 | 9 | 2017 |
| Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus PO Fernandes, ALT Dias, VS dos Santos Júnior, ... Journal of Chemical Information and Modeling 64 (6), 1932-1944, 2024 | 6 | 2024 |
| MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling GC Veríssimo, SQ Pantaleão, PO Fernandes, JC Gertrudes, ... Journal of Computer-Aided Molecular Design 37 (12), 735-754, 2023 | 6 | 2023 |
| Computer-aided molecular design, synthesis and evaluation of antifungal activity of heterocyclic compounds NJC Oliveira, INS Teixeira, PO Fernandes, GC Veríssimo, AD Valério, ... Journal of Molecular Structure 1267, 133573, 2022 | 6 | 2022 |
| Quantitative structure-activity relationship and machine learning studies of 2-thiazolylhydrazone derivatives with anti-Cryptococcus neoformans activity PO Fernandes, JPA Martins, EB de Melo, RB de Oliveira, T Kronenberger, ... Journal of Biomolecular Structure and Dynamics 40 (20), 9789-9800, 2022 | 5 | 2022 |
| Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and … H Barbosa, GZ Espinoza, M Amaral, EV de Castro Levatti, MB Abiuzi, ... Journal of Chemical Information and Modeling 64 (7), 2565-2576, 2023 | 4 | 2023 |
| Structure‐Guided Drug Design Targeting Abl Kinase: How Structure and Regulation Can Assist in Designing New Drugs DM Martins, PO Fernandes, LA Vieira, VG Maltarollo, AH Moraes ChemBioChem 25 (23), e202400296, 2024 | 3 | 2024 |
| Understanding the Enzyme (S)-Norcoclaurine Synthase Promiscuity to Aldehydes and Ketones BA Salvatti, MA Chagas, PO Fernandes, YFX Ladeira, AS Bozzi, ... Journal of Chemical Information and Modeling 64 (11), 4462-4474, 2024 | 2 | 2024 |
| GCN-Based Structure-Activity Relationship and DFT Studies of Staphylococcus aureus FabI Inhibitors GC Veríssimo, VS dos Santos Junior, PO Fernandes, S Ishida, R Kojima, ... International Journal of Quantitative Structure-Property Relationships …, 2022 | 2 | 2022 |
| QSAR and Machine Learning Predictors PO Fernandes, VG Maltarollo Computer-Aided and Machine Learning-Driven Drug Design: From Theory to …, 2025 | | 2025 |
| Antioxidant, Antiproliferative, Antibacterial, and Antimalarial Effects of Phenolic-Rich Green Tea Kombucha UV Lacerda, CVP da Costa, RR Cardoso, CTS D’Almeida, ... Beverages 11 (1), 7, 2024 | | 2024 |
| IN SILICO AND SPECTROSCOPIC INVESTIGATION OF THE INTERACTION BETWEEN ABL KINASE AND ANTILEUKEMIC INDOLES P de Oliveira Fernandes, R Oliveira, AH Moraes, V Maltarollo Galoá, 2022 | | 2022 |
| Structure-Activity Relationship Studies of Staphylococcus aureus DNA Gyrase B Inhibitors as Antibacterial Agents Employing Random Forest Models PO Fernandes, VG Maltarollo International Journal of Quantitative Structure-Property Relationships …, 2022 | | 2022 |
Vinicius G. MaltarolloDepartamento de Produtos Farmacêuticos, Faculdade de Farmácia, UFMGE-mail confirmado em ufmg.br