在没有实验结构的情况下,对计算工具进行系统评估,以预测突变对蛋白质-连接体结合亲和力的影响

Qisheng Pan1,2, Stephanie Portelli1,2, Thanh Binh Nguyen1,2

  • 1The Australian Centre for Ecogenomics, School of Chemistry and Molecular Biosciences, University of Queensland, Cooper Rd, St Lucia, Brisbane, QLD 4067, Australia.

PubMed
概括

预测药物耐药性突变需要了解蛋白质 - 配体结合亲和力变化. 像AlphaFold这样的当前蛋白质模型在评估这些突变时显示性能下降,这表明需要突变意识的计算方法.

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