中国科学院计算技术研究所机构知识库

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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：7/0  |  提交时间：2025/06/25 Structure-based bioactivity optimization  Deep-learning model  SARS-CoV-2 main protease  Molecular scaffold  Pocket-StrMod
	Predicting transcriptional responses to novel chemical perturbations using deep generative model for drug discovery 期刊论文 NATURE COMMUNICATIONS, 2024, 卷号: 15, 期号: 1, 页码: 19 作者:  Qi, Xiaoning;  Zhao, Lianhe;  Tian, Chenyu;  Li, Yueyue;  Chen, Zhen-Lin;  Huo, Peipei;  Chen, Runsheng;  Liu, Xiaodong;  Wan, Baoping;  Yang, Shengyong;  Zhao, Yi 收藏  |  浏览/下载：19/0  |  提交时间：2024/12/06