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A deep learning model for structure-based bioactivity optimization and its application in the bioactivity optimization of a SARS-CoV-2 main protease inhibitor 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2025, 卷号: 291, 页码: 16
作者:  Yang, Zhenyu;  Wang, Kai;  Zhang, Guo;  Jiang, Yuanyuan;  Zeng, Rui;  Qiao, Jingxin;  Li, Yueyue;  Deng, Xinyue;  Xia, Ziyi;  Yao, Rui;  Zeng, Xiaoxi;  Zhang, Liyun;  Zhao, Yi;  Lei, Jian;  Chen, Runsheng
收藏  |  浏览/下载：1/0  |  提交时间：2025/06/25
Structure-based bioactivity optimization  Deep-learning model  SARS-CoV-2 main protease  Molecular scaffold  Pocket-StrMod