机构

• 上海药物研究所 [17]

采集方式

• OAI收割 [17]

内容类型

• 期刊论文 [17]

发表日期

• 2025 [1]
• 2024 [5]
• 2023 [4]
• 2022 [7]

学科主题

筛选

浏览/检索结果: 共17条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Hydrogen Bond-Induced Binding between Organofluorine and Protein via Fluorine Atoms: A Database Survey and Quantum Chemistry Calculation Study 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2025, 卷号: 68, 期号: 14, 页码: 14882-14894 作者:  Han, Zijian;  Li, Jintian;  Liao, Qingyi;  Luo, Ruitong;  Wu, Leyun   |  收藏  |   Identification of the VP37 pocket of monkeypox virus as a promising target for pan-orthopoxvirus inhibitors through virtual screening and antiviral assays 期刊论文  OAI收割 EMERGING MICROBES & INFECTIONS, 2024, 卷号: 13, 期号: 1, 页码: 4 作者:  Huo, Shuting;  Wu, Leyun;  Huang, Baoying;  Liu, Nan;  Sun, Jiewei   |  收藏  |   TRIP13-a potential drug target in cancer pharmacotherapy 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2024, 卷号: 151, 页码: 11 作者:  Bunu, Samuel Jacob;  Cai, Haiyan;  Wu, Leyun;  Zhang, Hui;  Zhou, Zhaoyin   |  收藏  |   Unexpected effect of halogenation on the water solubility of small organic compounds 期刊论文  OAI收割 Computers in biology and medicine, 2024, 卷号: 172, 页码: 108209 作者:  Zhang, Jianfang;  Gulyas, Kinga Virag;  Li, Jintian;  Ma, Minfei;  Zhou, Liping   |  收藏  |   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  |   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  |   Discovery of zolinium TSG1180 as a novel agonist of transgelin-2 for treating asthma 期刊论文  OAI收割 Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, 2023, 卷号: 167, 页码: 115556 作者:  Yuan, Hong-Kai;  Li, Bo;  Wu, Leyun;  Wang, Xue-Ling;  Lv, Zhi-Ying   |  收藏  |   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  |   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  |   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  |