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Dynamic-GLEP: a dynamics-informed deep learning framework for ligand efficacy prediction in representative Class A GPCRs
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2026, 卷号: 27, 期号: 1, 页码: 15
作者:
Chen, Zhiyi
;
Hao, Yongxin
;
Su, Yuhong
;
Agren, Hans
;
Chen, Mingan
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Structure-Based Development of Ultra-Broad-Spectrum 3C-Like Protease Inhibitors
期刊论文
OAI收割
ADVANCED SCIENCE, 2025, 页码: 17
作者:
Su, Haixia
;
Nie, Tianqing
;
Chen, Guofeng
;
Xiong, Muya
;
Zhang, Yumin
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An update for AlphaFold3 versus experimental structures: assessing the precision of small molecule binding in GPCRs
期刊论文
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ACTA PHARMACOLOGICA SINICA, 2025, 页码: 10
作者:
Shen, Shi-yi
;
Li, Jun-rui
;
Wang, Yu-song
;
Li, Shao-ning
;
Xu, H. Eric
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AlphaFold3 versus experimental structures: assessment of the accuracy in ligand-bound G protein-coupled receptors
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2024, 页码: 12
作者:
He, Xin-heng
;
Li, Jun-rui
;
Shen, Shi-yi
;
Xu, H. Eric
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Discovery of a 1,6-naphthyridin-4-one-based AXL inhibitor with improved pharmacokinetics and enhanced in vivo antitumor efficacy
期刊论文
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EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 17
作者:
Lan, Yaohan
;
Peng, Xia
;
Ji, Yinchun
;
Su, Yi
;
Duan, Wenhu
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Structure-based drug discovery of novel fused- pyrazolone carboxamide derivatives as potent and selective AXL inhibitors
期刊论文
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ACTA PHARMACEUTICA SINICA B, 2023, 卷号: 13, 期号: 12, 页码: 4918-4933
作者:
Fang, Feifei
;
Dai, Yang
;
Wang, Hao
;
Ji, Yinchun
;
Liang, Xuewu
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Design and synthesis of 1H-pyrazolo[3,4-
d
]pyrimidine derivatives as hematopoietic progenitor kinase 1 (HPK1) inhibitors
期刊论文
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BIOORGANIC CHEMISTRY, 2023, 卷号: 140, 页码: 18
作者:
Zhang, Junjie
;
Li, Yan
;
Tang, Haotian
;
Zhou, Qianqian
;
Tong, Linjiang
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Discovery of Potent and Selective CB2 Agonists Utilizing a Function-Based Computational Screening Protocol
期刊论文
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ACS CHEMICAL NEUROSCIENCE, 2023, 卷号: 14, 期号: 21, 页码: 3941-3958
作者:
Ge, Haixia
;
Ji, Beihong
;
Fang, Jiahui
;
Wang, Jiayang
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Design, synthesis and pharmacological evaluation of 2,3-dihydrobenzo-furan IRAK4 inhibitors for the treatment of diffuse large B-cell lymphoma
期刊论文
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EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 256, 页码: 16
作者:
Chen, Yun
;
Ning, Yi
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Discovery of pseudolaric acid A as a new Hsp90 inhibitor uncovers its potential anticancer mechanism
期刊论文
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BIOORGANIC CHEMISTRY, 2021, 卷号: 112, 页码: 104963
作者:
Liu,Jiangxin
;
Wu,Xing-De
;
Li,Wenyan
;
Yuan,Zaifeng
;
Yang,Kun
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