机构

• 上海药物研究所 [28]

采集方式

• OAI收割 [28]

内容类型

• 期刊论文 [28]

发表日期

• 2024 [1]
• 2023 [3]
• 2022 [10]
• 2021 [1]
• 2020 [4]
• 2019 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共28条，第1-10条 帮助 限定条件 专题：上海药物研究所    第一署名单位    第一作者单位    通讯作者单位     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 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：19/0  |  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 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：21/0  |  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：15/0  |  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：22/0  |  提交时间：2022/11/11 Discovery of Small-Molecule Degraders of the CDK9-Cyclin T1 Complex for Targeting Transcriptional Addiction in Prostate Cancer 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 65, 期号: 16, 页码: 11034-11057 作者:  Li, Jiacheng;  Liu, Ting;  Song, Yuanli;  Wang, Mingyu;  Liu, Liping   |  收藏  |  浏览/下载：8/0  |  提交时间：2024/03/21 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：9/0  |  提交时间：2024/03/21 Pharmaceutical informatics  Drug design  Target discovery  Medicinal chemistry  Broad-spectrum drugs   D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2022, 页码: 16 作者:  Yang, Yanqing;  Zhou, Deshan;  Zhang, Xinben;  Shi, Yulong;  Han, Jiaxin   |  收藏  |  浏览/下载：35/0  |  提交时间：2022/06/15 D3AI-CoV  COVID-19  deep learning  target prediction  virtual screening   Metabolism guided optimization of peptidomimetics as non-covalent proteasome inhibitors for cancer treatment 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 233, 页码: 18 作者:  Cao, Yu;  Tu, Yutong;  Fu, Liping;  Yu, Qian;  Gao, Lixin   |  收藏  |  浏览/下载：27/0  |  提交时间：2022/06/15 Metabolism  Design  Proteasome inhibitors  Non-covalent  Multiple myeloma   Comprehensive Transcriptome Profiling of NAFLD- and NASH-Induced Skeletal Muscle Dysfunction 期刊论文  OAI收割 FRONTIERS IN ENDOCRINOLOGY, 2022, 卷号: 13, 页码: 14 作者:  Guo, Mingwei;  Xiang, Liping;  Yao, Jing;  Zhang, Jun;  Zhu, Shuangshuang   |  收藏  |  浏览/下载：31/0  |  提交时间：2022/08/30 NAFLD  NASH  quadriceps muscle  lipid deposition  insulin resistance  myokines