| Receptor–ligand molecular docking IA Guedes, CS de Magalhães, LE Dardenne Biophysical reviews 6, 75-87, 2014 | 591 | 2014 |
| Empirical scoring functions for structure-based virtual screening: applications, critical aspects, and challenges IA Guedes, FSS Pereira, LE Dardenne Frontiers in pharmacology 9, 1089, 2018 | 304 | 2018 |
| Highly flexible ligand docking: Benchmarking of the DockThor program on the LEADS-PEP protein–peptide data set KB Santos, IA Guedes, ALM Karl, LE Dardenne Journal of Chemical Information and Modeling 60 (2), 667-683, 2020 | 221 | 2020 |
| A dynamic niching genetic algorithm strategy for docking highly flexible ligands CS De Magalhães, DM Almeida, HJC Barbosa, LE Dardenne Information Sciences 289, 206-224, 2014 | 195 | 2014 |
| New machine learning and physics-based scoring functions for drug discovery IA Guedes, AMS Barreto, D Marinho, E Krempser, MA Kuenemann, ... Scientific reports 11 (1), 3198, 2021 | 170 | 2021 |
| Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants IA Guedes, LSC Costa, KB Dos Santos, ALM Karl, GK Rocha, IM Teixeira, ... Scientific Reports 11 (1), 5543, 2021 | 103 | 2021 |
| Design, synthesis and evaluation of novel feruloyl-donepezil hybrids as potential multitarget drugs for the treatment of Alzheimer's disease KST Dias, CT de Paula, T Dos Santos, INO Souza, MS Boni, ... European journal of medicinal chemistry 130, 440-457, 2017 | 88 | 2017 |
| A multiple minima genetic algorithm for protein structure prediction FL Custódio, HJC Barbosa, LE Dardenne Applied Soft Computing 15, 88-99, 2014 | 83 | 2014 |
| A genetic algorithm for the ligand-protein docking problem CS Magalhães, HJC Barbosa, LE Dardenne Genetics and Molecular Biology 27, 605-610, 2004 | 74 | 2004 |
| Structural modelling and comparative analysis of homologous, analogous and specific proteins from Trypanosoma cruzi versus Homo sapiens: putative drug … PVSZ Capriles, ACR Guimarães, TD Otto, AB Miranda, LE Dardenne, ... BMC genomics 11, 1-10, 2010 | 60 | 2010 |
| Design, synthesis and pharmacological evaluation of N-benzyl-piperidinyl-aryl-acylhydrazone derivatives as donepezil hybrids: Discovery of novel multi-target anti-alzheimer … FPD Viegas, M de Freitas Silva, MD da Rocha, MR Castelli, MM Riquiel, ... European Journal of Medicinal Chemistry 147, 48-65, 2018 | 58 | 2018 |
| Novel series of tacrine-tianeptine hybrids: Synthesis, cholinesterase inhibitory activity, S100B secretion and a molecular modeling approach MA Ceschi, JS da Costa, JPB Lopes, VS Câmara, LF Campo, ... European Journal of Medicinal Chemistry 121, 758-772, 2016 | 52 | 2016 |
| Investigation of the three-dimensional lattice HP protein folding model using a genetic algorithm FL Custódio, HJC Barbosa, LE Dardenne Genetics and Molecular Biology 27, 611-615, 2004 | 52 | 2004 |
| Electrostatic properties in the catalytic site of papain: A possible regulatory mechanism for the reactivity of the ion pair LE Dardenne, AS Werneck, M de Oliveira Neto, PM Bisch Proteins: Structure, Function, and Bioinformatics 52 (2), 236-253, 2003 | 44 | 2003 |
| A new approach for potential drug target discovery through in silico metabolic pathway analysis using Trypanosoma cruzi genome information M Alves-Ferreira, ACR Guimarães, PVSZ Capriles, LE Dardenne, ... Memorias do Instituto Oswaldo Cruz 104, 1100-1110, 2009 | 42 | 2009 |
| Selection-insertion schemes in genetic algorithms for the flexible ligand docking problem CS de Magalhaes, HJC Barbosa, LE Dardenne Genetic and Evolutionary Computation–GECCO 2004: Genetic and Evolutionary …, 2004 | 37 | 2004 |
| Performance and parameterization of the algorithm Simplified Generalized Simulated Annealing A Dall'Igna Júnior, RS Silva, KC Mundim, LE Dardenne Genetics and Molecular Biology 27, 616-622, 2004 | 34 | 2004 |
| Understanding the HIV-1 protease nelfinavir resistance mutation D30N in subtypes B and C through molecular dynamics simulations RO Soares, PR Batista, MGS Costa, LE Dardenne, PG Pascutti, ... Journal of Molecular Graphics and Modelling 29 (2), 137-147, 2010 | 31 | 2010 |
| Discovery of naphthyl‐N‐acylhydrazone p38α MAPK inhibitors with in vivo anti‐inflammatory and anti‐TNF‐α activity RHCN Freitas, NM Cordeiro, PR Carvalho, MA Alves, IA Guedes, ... Chemical biology & drug design 91 (2), 391-397, 2018 | 29 | 2018 |
| Chiral bistacrine analogues: synthesis, cholinesterase inhibitory activity and a molecular modeling approach JPB Lopes, JS Costa, MA Ceschi, CAS Gonçalves, EL Konrath, ALM Karl, ... Journal of the Brazilian Chemical Society 28 (11), 2218-2228, 2017 | 28 | 2017 |
