研究人员开发了一种生成双靶点分子（旨在同时与两个蛋白质靶点相互作用）的新方法。这种名为CombiMOTS的方法使用帕累托蒙特卡洛树搜索框架来探索片段空间，并针对靶点亲和力和分子特性进行优化。实验表明，CombiMOTS可以发现具有改进对接分数和平衡药理学特征的新型双靶点分子，为药物发现提供了有前景的工具。 AI
影响 为双靶点药物发现提供了一个新框架，有望加速识别更有效、更安全的疗法。
排序理由 这是一篇详细介绍新分子生成方法的学术论文。
AI 生成摘要 · Google Gemini · 来自 8 个来源。 我们如何撰写摘要 →
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