Integrative Computational Approaches for the Discovery of Triazole-Based Urease Inhibitors: A Machine Learning, Virtual Screening, and Meta-Dynamics Framework
用于发现三唑类脲酶抑制剂的综合计算方法:机器学习、虚拟筛选和元动力学框架
期刊:International Journal of Molecular Sciences
影响因子:4.9
doi:10.3390/ijms262311576
Ríos-Rozas, Sofía E; Morales, Natalia; Valdés-Muñoz, Elizabeth; Urra, Gabriela; Flores-Morales, Camila A; Farías-Abarca, Javier; Hernández-Rodríguez, Erix W; Palma, Jonathan M; Osorio, Manuel I; Yáñez-Osses, Osvaldo; Morales-Quintana, Luis; Suardíaz, Reynier; Bustos, Daniel