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 | 213 | 2020 |
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 | 102 | 2021 |
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 |
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 |
In Silico Analysis of Dengue Virus Serotype 2 Mutations Detected at the Intrahost Level in Patients with Different Clinical Outcomes MC Torres, AL Martins Karl, M Müller Pereira da Silva, LE Dardenne, ... Microbiology Spectrum 9 (2), e00256-21, 2021 | 7 | 2021 |
Inclusão da flexibilidade do receptor no programa DockThor através da abordagem de Soft Docking ALM Karl | | 2019 |
Inclusion of Receptor Flexibility in the DockThor Program through the Soft Docking Approach ALM Karl, IA Guedes, L Dardenne Galoá, 2019 | | 2019 |
Moléculas com núcleo híbrido, composição farmacêutica, processo de síntese e seus usos MA Ceschi, LF Campo, CAS Goncalves, EL Konrath, JS Costa, DF Souza, ... | | 2015 |
MODELAGEM MOLECULAR DE INIBIDORES POTENTES E SELETIVOS PARA A ENZIMA ACETILCOLINESTERASE ALM Karl, IA Guedes, LE Dardenne | | |