| Hydrogen bond basicity prediction for medicinal chemistry design PW Kenny, CA Montanari, IM Prokopczyk, JFR Ribeiro, GR Sartori Journal of Medicinal Chemistry 59 (9), 4278-4288, 2016 | 56 | 2016 |
| The influence of hydrogen bonding on partition coefficients NM Borges, PW Kenny, CA Montanari, IM Prokopczyk, JFR Ribeiro, ... Journal of computer-aided molecular design 31 (2), 163-181, 2017 | 31 | 2017 |
| Leveraging the cruzain S3 subsite to increase affinity for reversible covalent inhibitors L Cianni, G Sartori, F Rosini, D De Vita, G Pires, BR Lopes, A Leitão, ... Bioorganic Chemistry 79, 285-292, 2018 | 28 | 2018 |
| Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds NM Borges, GR Sartori, JFR Ribeiro, JR Rocha, JBL Martins, ... Journal of molecular modeling 24 (1), 41, 2018 | 20 | 2018 |
| Integration of methods in cheminformatics and biocalorimetry for the design of trypanosomatid enzyme inhibitors IM Prokopczyk, JFR Ribeiro, GR Sartori, R Sesti-Costa, JS Silva, ... Future medicinal chemistry 6 (1), 17-33, 2014 | 18 | 2014 |
| Small-angle X-ray scattering and structural modeling of full-length: cellobiohydrolase I from Trichoderma harzianum LHF Lima, VI Serpa, FR Rosseto, GR Sartori, M de Oliveira Neto, ... Cellulose 20 (4), 1573-1585, 2013 | 16 | 2013 |
| 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 | 15 | 2022 |
| Optimization of resveratrol used as a scaffold to design histone deacetylase (HDAC-1 and HDAC-2) inhibitors BS Urias, AR Pavan, GR Albuquerque, IM Prokopczyk, TMF Alves, ... Pharmaceuticals 15 (10), 1260, 2022 | 15 | 2022 |
| The CDR3 region as the major driver of TREM-1 interaction with its ligands, an in silico characterization A de Oliveira Matos, PH dos Santos Dantas, MTC Colmenares, GR Sartori, ... Computational and Structural Biotechnology Journal 21, 2579-2590, 2023 | 12 | 2023 |
| Comparative analysis of electrostatic models for ligand docking GR Sartori, AS Nascimento Frontiers in Molecular Biosciences 6, 52, 2019 | 11 | 2019 |
| Highly predictive hologram QSAR models of nitrile-containing cruzain inhibitors DG Silva, JR Rocha, GR Sartori, CA Montanari Journal of Biomolecular Structure and Dynamics 35 (15), 3232-3249, 2017 | 11 | 2017 |
| Automated molecule editing in molecular design PW Kenny, CA Montanari, IM Prokopczyk, FA Sala, GR Sartori Journal of computer-aided molecular design 27 (8), 655-664, 2013 | 11 | 2013 |
| Guidelines to predict binding poses of antibody–integrin complexes B Chaves, GR Sartori, DCA Vasconcelos, W Savino, ER Caffarena, ... ACS omega 5 (27), 16379-16385, 2020 | 10 | 2020 |
| Ligand-induced conformational selection predicts the selectivity of cysteine protease inhibitors GR Sartori, A Leitão, CA Montanari, CA Laughton PLoS One 14 (12), e0222055, 2019 | 9 | 2019 |
| 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 | 7 | 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, 45, 2022 | 6 | 2022 |
| AbSet: A Standardized Data Set of Antibody Structures for Machine Learning Applications DS Almeida, MV Almeida, JV Sampaio, EM Gaieta, AHS Costa, ... Journal of Chemical Information and Modeling 65 (10), 4767-4774, 2025 | 5 | 2025 |
| Immunoinformatics-guided design of a multi-valent vaccine against rotavirus and norovirus (ChRNV22) A de Oliveira Matos, TCV Rodrigues, S Tiwari, PH dos Santos Dantas, ... Computers in Biology and Medicine 159, 106941, 2023 | 5 | 2023 |
| 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 |
| 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, 2021 | 5 | 2021 |
