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2020 – today
- 2024
[j6]Mateus Sá Magalhães Serafim
, Thales Kronenberger, Rafael Eduardo Oliveira Rocha, Amanda Del Rio Abreu Rosa, Thaysa Lara Gonçalves Mello, Antti Poso, Rafaela Salgado Ferreira, Jonatas Santos Abrahão, Erna Geessien Kroon, Bruno Eduardo Fernandes Mota, Vinicius Gonçalves Maltarollo:
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach. J. Chem. Inf. Model. 64(2): 393-411 (2024)- [j5]Philipe Oliveira Fernandes, Anna Letícia Teotonio Dias, Valtair Severino dos Santos Júnior, Mateus Sá Magalhães Serafim, Yamara Viana Sousa, Gustavo Claro Monteiro, Isabel Duarte Coutinho, Marilia Valli, Marina Mol Sena Andrade Verzola, Flaviano Melo Ottoni, Rodrigo Maia de Pádua, Fernando Bombarda Oda, André Gustavo dos Santos, Adriano Defini Andricopulo, Vanderlan da Silva Bolzani, Bruno Eduardo Fernandes Mota, Ricardo José Alves, Renata Barbosa de Oliveira, Thales Kronenberger, Vinicius Gonçalves Maltarollo:
Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus. J. Chem. Inf. Model. 64(6): 1932-1944 (2024) - 2023
- [j4]Gabriel Corrêa Veríssimo, Simone Queiroz Pantaleão, Philipe de Oliveira Fernandes, Jadson Castro Gertrudes, Thales Kronenberger, Káthia Maria Honório, Vinicius Gonçalves Maltarollo:
MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling. J. Comput. Aided Mol. Des. 37(12): 735-754 (2023) - 2022
- [j3]Vinicius Gonçalves Maltarollo, Ekaterina Shevchenko, Igor Daniel de Miranda Lima, Elio A. Cino, Glaucio Monteiro Ferreira, Antti Poso, Thales Kronenberger:
Do Go Chasing Waterfalls: Enoyl Reductase (FabI) in Complex with Inhibitors Stabilizes the Tetrameric Structure and Opens Water Channels. J. Chem. Inf. Model. 62(22): 5746-5761 (2022) - [j2]Lucianna Helene Santos, Thales Kronenberger, Renata G. Almeida, Elany B. Silva, Rafael E. O. Rocha, Joyce C. Oliveira, Luiza V. Barreto, Danielle Skinner, Pavla Fajtová, Miriam A. Giardini, Brendon Woodworth, Conner Bardine, André L. Lourenço, Charles S. Craik, Antti Poso, Larissa M. Podust, James H. McKerrow, Jair L. Siqueira-Neto, Anthony J. O'Donoghue, Eufrânio N. da Silva Júnior, Rafaela Salgado Ferreira:
Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease Mpro and Papain-like Protease PLpro of SARS-CoV-2. J. Chem. Inf. Model. 62(24): 6553-6573 (2022) - 2021
- [j1]Prasanthi Medarametla, Thales Kronenberger, Tuomo Laitinen, Antti Poso:
Structural Characterization of LsrK as a Quorum Sensing Target and a Comparison between X-ray and Homology Models. J. Chem. Inf. Model. 61(3): 1346-1353 (2021)
Coauthor Index
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