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MAI-TargetFisher: A proteome-wide drug target prediction method synergetically enhanced by artificial intelligence and physical modeling 期刊论文
ACTA PHARMACOLOGICA SINICA, 2025, 卷号: 46, 期号: 5, 页码: 1462-1475
作者:  Li, Shiwei;  Ren, Pengxuan;  Wang, Lin;  Han, Qilei;  Li, Fenglei
Adobe PDF(2877Kb)  |  收藏  |  浏览/下载：375/4  |  提交时间：2024/12/02
Bridging mechanical properties with atomic structures of polymorphic α-synuclein fibrils by single-molecule analysis and molecular dynamics simulations 期刊论文
AGGREGATE, 2025, 卷号: 6, 期号: 5
作者:  Bi, Lulu;  Li, Linge;  Li, Xiang;  Wu, Shaojuan;  Zhang, Xia
Adobe PDF(4227Kb)  |  收藏  |  浏览/下载：136/7  |  提交时间：2025/02/24
Electrical activities of sulfur dopants in GaAs introduced by self-assembled molecular monolayers 期刊论文
JOURNAL OF APPLIED PHYSICS, 2025, 卷号: 137, 期号: 12
作者:  Fan, Zhengfang;  Liu, Yumeng;  Wang, Yizhuo;  Wei, Hao;  Li, He
Adobe PDF(2044Kb)  |  收藏  |  浏览/下载：33/2  |  提交时间：2025/04/14
Potency Prediction of Covalent Inhibitors against SARS-CoV-2 3CL-like Protease and Multiple Mutants by Multiscale Simulations 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 卷号: 64, 期号: 24, 页码: 9501-9516
作者:  Muya Xiong;  Tianqing Nie;  Zhewen Li;  Meiyi Hu;  Haixia Su
Adobe PDF(7488Kb)  |  收藏  |  浏览/下载：296/6  |  提交时间：2024/12/02
Generic protein-ligand interaction scoring by integrating physical prior knowledge and data augmentation modelling 期刊论文
NATURE MACHINE INTELLIGENCE, 2024
作者:  Cao, Duanhua;  Chen, Geng;  Jiang, Jiaxin;  Yu, Jie;  Zhang, Runze
Adobe PDF(3326Kb)  |  收藏  |  浏览/下载：218/0  |  提交时间：2024/06/17
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, 卷号: 16, 期号: 9, 页码: 887-903
作者:  Yan, Yong;  Liu, Hanwen;  Wu, Di;  Gu, Zhihao;  Guo, Wenhao
Adobe PDF(3417Kb)  |  收藏  |  浏览/下载：210/0  |  提交时间：2024/05/14
Development of Yin-Yang ligand for cannabinoid receptors 期刊论文
BIOORGANIC CHEMISTRY, 2023, 卷号: 133, 页码: 106377
作者:  Qiu, Yanli;  Zhao, Yitian;  Hu, Tao;  Yang, Meifang;  Li, Fei
Adobe PDF(2979Kb)  |  收藏  |  浏览/下载：479/8  |  提交时间：2023/03/01
Design, synthesis and biological evaluation of novel osimertinib derivatives as reversible EGFR kinase inhibitors 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 238
作者:  Ding, Shi;  Gao, Ziye;  Hu, Ziqiang;  Qi, Rui;  Zheng, Xiangshan
Adobe PDF(8843Kb)  |  收藏  |  浏览/下载：371/0  |  提交时间：2022/08/15
Bioinformatics study of the potential therapeutic effects of ginsenoside Rf in reversing nonalcoholic fatty liver disease 期刊论文
BIOMEDICINE & PHARMACOTHERAPY, 2022, 卷号: 149
作者:  Chen, Lichun;  Wang, Liziniu;  Ao, Weizhen;  Chen, Yu;  Li, Songjian
Adobe PDF(17286Kb)  |  收藏  |  浏览/下载：339/2  |  提交时间：2022/05/27
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：880/379  |  提交时间：2022/10/14
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