Identifying 124 new anti-HIV drug candidates in a 37 billion-compound database: An integrated approach of machine learning (QSAR), molecular docking, and molecular dynamics simulation
| Autor: | Cobre, Alexandre de Fátima, Ara, Anderson, Alves, Alexessander Couto, Maia Neto, Moisés, Fachi, Mariana Millan, Beca, Laize Sílvia dos Anjos Botas, Tonin, Fernanda Stumpf, Pontarolo, Roberto |
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| Zdroj: | In Chemometrics and Intelligent Laboratory Systems 15 July 2024 250 |
| Databáze: | ScienceDirect |
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