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Discovery of novel GluN1/GluN3A NMDA receptor inhibitors using a deep learning-based method 期刊论文
ACTA PHARMACOLOGICA SINICA, 2025
作者:  Wang, Shi-hang;  Zeng, Yue;  Yang, Hao;  Tian, Si-yuan;  Zhou, Yong-qi
Adobe PDF(2216Kb)  |  收藏  |  浏览/下载：13/1  |  提交时间：2025/05/20
Discovery of novel covalent stabilizers for p53 Y220C using structure-based drug discovery methods 期刊论文
MOLECULAR DIVERSITY, 2025
作者:  Wen, Yiming;  Xu, Peijia;  Chen, Yijie;  Meng, Jingyi;  Zheng, Mingyue
Adobe PDF(4175Kb)  |  收藏  |  浏览/下载：76/2  |  提交时间：2025/03/03
Conformational Space Profiling Enhances Generic Molecular Representation for AI-Powered Ligand-Based Drug Discovery 期刊论文
ADVANCED SCIENCE, 2024, 卷号: 11, 期号: 40
作者:  Wang, Lin;  Wang, Shihang;  Yang, Hao;  Li, Shiwei;  Wang, Xinyu
Adobe PDF(4769Kb)  |  收藏  |  浏览/下载：490/24  |  提交时间：2024/09/08
Design, synthesis and biological evaluation of novel 3C-like protease inhibitors as lead compounds against SARS-CoV-2 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2024
作者:  Yan, Yong;  Liu, Hanwen;  Wu, Di;  Gu, Zhihao;  Guo, Wenhao
Adobe PDF(3417Kb)  |  收藏  |  浏览/下载：207/0  |  提交时间：2024/05/14
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules 期刊论文
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1
作者:  Liu, Xiaohong;  Zhang, Wei;  Tong, Xiaochu;  Zhong, Feisheng;  Li, Zhaojun
Adobe PDF(2616Kb)  |  收藏  |  浏览/下载：818/139  |  提交时间：2023/05/05
Discovery and identification of a novel small molecule BCL-2 inhibitor that binds to the BH4 domain 期刊论文
ACTA PHARMACOLOGICA SINICA, 2022
作者:  Zhou, Jing-yi;  Yang, Rui-rui;  Chang, Jie;  Song, Jia;  Fan, Zi-sheng
Adobe PDF(4057Kb)  |  收藏  |  浏览/下载：321/0  |  提交时间：2022/08/23
Discovery of ARF1-targeting inhibitor demethylzeylasteral as a potential agent against breast cancer 期刊论文
ACTA PHARMACEUTICA SINICA B, 2022, 卷号: 12, 期号: 5
作者:  Chang, Jie;  Yang, Ruirui;  Chen, Lifan;  Fan, Zisheng;  Zhou, Jingyi
Adobe PDF(875Kb)  |  收藏  |  浏览/下载：232/0  |  提交时间：2022/07/01
Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein 期刊论文
ACTA PHARMACOLOGICA SINICA, 2022
作者:  Wang, Lin;  Wu, Yan;  Yao, Sheng;  Ge, Huan;  Zhu, Ya
Adobe PDF(4540Kb)  |  收藏  |  浏览/下载：1637/394  |  提交时间：2021/08/16
Molecular docking-based computational platform for high-throughput virtual screening 期刊论文
CCF TRANSACTIONS ON HIGH PERFORMANCE COMPUTING, 2022, 卷号: 4, 期号: 1, 页码: 63-74
作者:  Zhang, Baohua;  Li, Hui;  Yu, Kunqian;  Jin, Zhong
Adobe PDF(969Kb)  |  收藏  |  浏览/下载：873/373  |  提交时间：2022/10/14
Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction 期刊论文
FRONTIERS IN CHEMISTRY, 2021, 卷号: 9
作者:  Xiong, Jiacheng;  Xiang, Yusen;  Huang, Ziming;  Liu, Xiaohong;  Wang, Mengge
Adobe PDF(3892Kb)  |  收藏  |  浏览/下载：427/184  |  提交时间：2021/10/22
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