NPEX:

Yuta Shimono1, Masataka Hakamada1, Mamoru Mabuchi1

  • 1Graduate School of Energy Science, Kyoto University, Yoshidahonmachi, Sakyo-ku, Kyoto, 606-8501, Japan.

概括

一种新的深度强化学习方法,永远不要放弃蛋白质探索 (NPEX),加速蛋白质结构的确定. 在不需要先前的结构知识的情况下,NPEX提高了采样效率,彻底改变了药物设计和蛋白质研究.

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