机构

• 上海药物研究所 [15]

采集方式

• OAI收割 [15]

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浏览/检索结果: 共15条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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  |  浏览/下载：18/0  |  提交时间：2024/08/22 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  |  浏览/下载：13/0  |  提交时间：2024/09/26 AAA plus ATPase  TRIP13  Cancer  Drug target  Small-molecule inhibitors   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：23/0  |  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：47/0  |  提交时间：2024/03/13 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  |  浏览/下载：27/0  |  提交时间：2024/03/26 Active learning  Consensus labelling  Eye irritation  Serious eye damage  Structural alerts   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：41/0  |  提交时间：2023/10/17 Target prediction  Virtual screening  Molecular docking  Ligand similarity search  Deep learning   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：47/0  |  提交时间：2023/10/17 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：44/0  |  提交时间：2023/04/10 Pharmaceutical sciences  Molecular dynamics simulation  Free energy calculation  Asthma  Target protein  Transgelin-2  Agonist   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：32/0  |  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：33/0  |  提交时间：2024/03/21 Pharmaceutical informatics  Drug design  Target discovery  Medicinal chemistry  Broad-spectrum drugs