Machine learning-enabled virtual screening indicates the anti-tuberculosis activity of aldoxorubicin and quarfloxin with verification by molecular docking, molecular dynamics simulations, and biological evaluations
机器学习虚拟筛选表明阿霉素和夸氟辛具有抗结核活性,并通过分子对接、分子动力学模拟和生物学评价进行了验证
期刊:Briefings in Bioinformatics
影响因子:6.8
doi:10.1093/bib/bbae696
Si Zheng, Yaowen Gu, Yuzhen Gu, Yelin Zhao, Liang Li, Min Wang, Rui Jiang, Xia Yu, Ting Chen, Jiao Li