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蛋白变构位点标准数据集

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国家基础学科公共科学数据中心2026-03-28 收录
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https://nbsdc.cn/general/dataDetail?id=69c5583cf175600d01d0c71e&type=1
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变构调节通过配体结合不同位点精准控制蛋白功能,其位点结构多样性赋予调节剂高选择性与低毒性。靶向变构位点已成为药物研发新策略,我们运用变构位点识别算法预测人类蛋白质变构位点,构建蛋白质变构位点标准数据集,为变构药物开发提供系统性的位点识别新途径

Allosteric regulation precisely controls protein function through ligands binding to distinct sites, and the structural diversity of these sites endows regulators with high selectivity and low toxicity. Targeting allosteric sites has emerged as a novel strategy for drug discovery. In this work, we utilized allosteric site recognition algorithms to predict allosteric sites in human proteins and constructed a standardized dataset of protein allosteric sites, providing a systematic new approach for site recognition in allosteric drug development.
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上海交通大学
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