中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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  • 上海药物研究所 [47]
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  • OAI收割 [47]
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  • 期刊论文 [47]
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Discovery of a Covalent Inhibitor Selectively Targeting the Autophosphorylation Site of c-Src Kinase 期刊论文  OAI收割
ACS CHEMICAL BIOLOGY, 2024, 页码: 12
作者:  Zhang, Huimin;  Xu, Dounan;  Huang, Hongchan;  Jiang, Hao;  Hu, Linghao
  |  收藏  |  浏览/下载：1/0  |  提交时间：2024/05/07
Impact of Halogen Bonds on Protein-Peptide Binding and Protein Structural Stability Revealed by Computational Approaches 期刊论文  OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2024, 页码: 11
作者:  Li, Jintian;  Zhou, Liping;  Han, Zijian;  Wu, Leyun;  Zhang, Jianfang
  |  收藏  |  浏览/下载：0/0  |  提交时间：2024/05/07
D3Rings: A Fast and Accurate Method for Ring System Identification and Deep Generation of Drug-Like Cyclic Compounds 期刊论文  OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 卷号: 64, 期号: 3, 页码: 724-736
作者:  Ma, Minfei;  Zhang, Xinben;  Zhou, Liping;  Han, Zijian;  Shi, Yulong
  |  收藏  |  浏览/下载：24/0  |  提交时间：2024/03/13
D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening 期刊论文  OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 164, 页码: 8
作者:  Shi, Yulong;  Zhang, Xinben;  Yang, Yanqing;  Cai, Tingting;  Peng, Cheng
  |  收藏  |  浏览/下载：21/0  |  提交时间：2023/10/17
Preferred microenvironments of halogen bonds and hydrogen bonds revealed using statistics and QM/MM calculation studies 期刊论文  OAI收割
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 26, 页码: 17692-17699
作者:  Zhou, Liping;  Li, Jintian;  Shi, Yulong;  Wu, Leyun;  Zhu, Weiliang
  |  收藏  |  浏览/下载：27/0  |  提交时间：2023/10/17
Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19 期刊论文  OAI收割
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2023, 卷号: 120, 期号: 18, 页码: 11
作者:  Xu, Haiyu;  Li, Shufen;  Liu, Jiayuan;  Cheng, Jinlong;  Kang, Liping
  |  收藏  |  浏览/下载：21/0  |  提交时间：2023/10/17
Modular Biomimetic Strategy Enabled Discovery of Simplified Pseudo-Natural Macrocyclic P-Glycoprotein Inhibitors Capable of Overcoming Multidrug Resistance 期刊论文  OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 66, 期号: 4, 页码: 2550-2565
作者:  Liu, Bo;  Yu, Xueni;  Liu, Liping;  Wang, Lei;  Wang, Jie
  |  收藏  |  浏览/下载：5/0  |  提交时间：2024/03/27
Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery 期刊论文  OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 153, 页码: 7
作者:  Wu, Leyun;  Wang, Guangpu;  Zhou, Liping;  Mo, Mengxia;  Shi, Yulong
  |  收藏  |  浏览/下载：16/0  |  提交时间：2023/04/10
Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay 期刊论文  OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2022, 页码: 11
作者:  Zhou, Liping;  Liu, Tingting;  Mo, Mengxia;  Shi, Yulong;  Wu, Leyun
  |  收藏  |  浏览/下载：22/0  |  提交时间：2022/11/11
Conserved protein targets for developing pan-coronavirus drugs based on sequence and 3D structure similarity analyses 期刊论文  OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2022, 卷号: 145, 页码: 105455
作者:  Ma, Minfei;  Yang, Yanqing;  Wu, Leyun;  Zhou, Liping;  Shi, Yulong
  |  收藏  |  浏览/下载：13/0  |  提交时间：2024/03/21