Chem. Sci., 2026, 接受手稿 DOI: 10.1039/D5SC08253F, Edge Article
Yui Tik Pang, Lixinhao Yang, Katie Kuo, James Gumbart 蛋白质的结构动力学在其功能中起着至关重要的作用,然而许多当前的深度学习方法主要生成单个构象的高分辨率静态快照,其动力学是通过间接方式捕捉的……
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DeepPath: Overcoming data scarcity for protein transition pathway prediction using physics-based deep learning
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