Um estudo do efeito da flexibilidade explícita da enzima InhA de M. tuberculosis na docagem molecular dos inibidores etionamida, triclosano e isoniazida-pentacionoferrato II

Molecular docking is one of the main stages of Rational Drug Design (RDD). This is a method that provides a better orientation and conformation in which a molecule will bind to another to form a stable complex. Most docking algorithms consider flexible ligands, due to their usually small size. On th