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within Yongchang Zhu Remove this filter Computer Applications in Chemistry Remove this filter Physical Chemistry Remove this filter

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  1. No Access

    Article

    Discovery of novel and potent InhA direct inhibitors by ensemble docking-based virtual screening and biological assays

    Multidrug-resistant tuberculosis (MDR-TB) continues to spread worldwide and remains one of the leading causes of death among infectious diseases. The enoyl-acyl carrier protein reductase (InhA) belongs to FAS-...

    Qianqian Zhang, Jianting Han, Yongchang Zhu… in Journal of Computer-Aided Molecular Design (2023)

  2. No Access

    Article

    Discovery of small molecules binding to the normal conformation of prion by combining virtual screening and multiple biological activity evaluation methods

    Conformational conversion of the normal cellular prion protein, PrPC, into the misfolded isoform, PrPSc, is considered to be a central event in the development of fatal neurodegenerative diseases. Stabilization o...

    Lanlan Li, Wei Wei, Wen-Juan Jia… in Journal of Computer-Aided Molecular Design (2017)