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Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors

delete2025-01-22
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DOI：10.1038/s41587-024-02526-3delete
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摘要

摘要

En 中文
我们介绍了一种用于小分子设计的量子-经典生成模型，特别针对癌症治疗中的KRAS抑制剂。我们将该方法应用于设计、筛选和合成15种可能显著与KRAS结合用于癌症治疗的候选分子，其中两种显示出作为抑制剂的未来开发前景。这项工作展示了量子计算在生成经过实验验证的候选分子方面的潜力，这些候选分子在性能上优于经典模型。
Keyword:
MEMBRANE
DESIGN
PROTEIN
RAS

期刊

Nature Biotechnology 封面图
Nature Biotechnology
IF:
41.7
论文数:
1.2W
被引数:
10.1W

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