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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  
HERB 2.0: an updated database integrating clinical and experimental evidence for traditional Chinese medicine 期刊论文
NUCLEIC ACIDS RESEARCH, 2024, 页码: 11
作者:  Gao, Kai;  Liu, Liu;  Lei, Shuangshuang;  Li, Zhinong;  Huo, Peipei;  Wang, Zhihao;  Dong, Lei;  Deng, Wenxin;  Bu, Dechao;  Zeng, Xiaoxi;  Li, Chun;  Zhao, Yi;  Zhang, Wei;  Wang, Wei;  Wu, Yang
收藏  |  浏览/下载:1/0  |  提交时间:2025/06/25
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:18/0  |  提交时间:2024/12/06
GeneCompass: deciphering universal gene regulatory mechanisms with a knowledge-informed cross-species foundation model 期刊论文
CELL RESEARCH, 2024, 页码: 16
作者:  Yang, Xiaodong;  Liu, Guole;  Feng, Guihai;  Bu, Dechao;  Wang, Pengfei;  Jiang, Jie;  Chen, Shubai;  Yang, Qinmeng;  Miao, Hefan;  Zhang, Yiyang;  Man, Zhenpeng;  Liang, Zhongming;  Wang, Zichen;  Li, Yaning;  Li, Zheng;  Liu, Yana;  Tian, Yao;  Liu, Wenhao;  Li, Cong;  Li, Ao;  Dong, Jingxi;  Hu, Zhilong;  Fang, Chen;  Cui, Lina;  Deng, Zixu;  Jiang, Haiping;  Cui, Wentao;  Zhang, Jiahao;  Yang, Zhaohui;  Li, Handong;  He, Xingjian;  Zhong, Liqun;  Zhou, Jiaheng;  Wang, Zijian;  Long, Qingqing;  Xu, Ping;  Wang, Hongmei;  Meng, Zhen;  Wang, Xuezhi;  Wang, Yangang;  Wang, Yong;  Zhang, Shihua;  Guo, Jingtao;  Zhao, Yi;  Zhou, Yuanchun;  Li, Fei;  Liu, Jing;  Chen, Yiqiang;  Yang, Ge;  Li, Xin
收藏  |  浏览/下载:18/0  |  提交时间:2024/12/06