| Discovery of new Zika protease and polymerase inhibitors through the open science collaboration Project OpenZika M Mottin, BK de Paula Sousa, NC de Moraes Roso Mesquita, ... Journal of chemical information and modeling 62 (24), 6825-6843, 2022 | 7 | 2022 |
| Development of New Potential Inhibitors of β1 Integrins through In Silico Methods—Screening and Computational Validation D Vasconcelos, B Chaves, A Albuquerque, L Andrade, A Henriques, ... Life 12 (7), 932, 2022 | 5 | 2022 |
| Investigation of Unprecedented Sites and Proposition of New Ligands for Programmed Cell Death Protein I through Molecular Dynamics with Probes and Virtual Screening L Andrade, A Albuquerque, A Santos-Costa, D Vasconcelos, W Savino, ... Journal of chemical information and modeling 62 (5), 1236-1248, 2022 | 5 | 2022 |
| Computationally-obtained structural insights into the molecular interactions between Pidilizumab and binding partners DLL1 and PD-1 AO Albuquerque, HC da Silva Junior, GR Sartori, JH Martins da Silva Journal of Biomolecular Structure and Dynamics 40 (14), 6450-6462, 2022 | 4 | 2022 |
| In silico mapping of the dynamic interactions and structure-activity relationship of flavonoid compounds against the immune checkpoint programmed-cell death 1 pathway GR Sartori, AO Albuquerque, AH Santos-Costa, LM Andrade, DS Almeida, ... Frontiers in Drug Discovery 2, 1032587, 2022 | 1 | 2022 |
| Structural modeling and design of scFv fragments from the antineoplastic antibody Brontictuzumab for enhanced binding to Notch1 NRR region AO Albuquerque, AHS Costa, LM Andrade, GR Sartori, JHM Silva | | 2023 |
| Discovery and characterization of sites through molecular dynamics with probes and virtual screening to propose new immunobiological targeting the PD-1 LM Andrade, A Albuquerque, AHS Costa, D Vasconcelos, GR Sartori, ... | | 2022 |
| Conformational dynamics behind the inhibition of Notch1 NRR region by the antineoplastic antibody Brontictuzumab AO Albuquerque, AHS Costa, LM Andrade, GR Sartori, JHM Silva | | 2022 |
| Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation BKP Sousa, M Mottin, J Bernatchez, NCMR Mesquita, Z Zhu, J Rich, ... Anais, 2020 | | 2020 |
| Avaliação computacional de um conjunto de fragmentos de anticorpos anti-DLL1 como base para proposição de um novo biofármaco AO Albuquerque | | 2020 |
| Computational insights into the molecular interactions of anti-PD1/anti-DLL1 dual antibodies AO Albuquerque, JHM Silva Fiocruz/Instituto de Tecnologia em Imunobiológicos, 2019 | | 2019 |
| Modelagem, docking e dinâmica molecular de dois fragmentos de anticorpos contra o antígeno de superfície do vírus da Hepatite B AHS Dias, AO Albuquerque, ABC Figueiredo, JHM Silva, M Arissawa Fiocruz/Instituto de Tecnologia em Imunobiológicos, 2017 | | 2017 |
