机构

• 上海药物研究所 [15]
• 金属研究所 [1]
• 中国科学院大学 [1]

采集方式

• OAI收割 [16]
• iSwitch采集 [1]

内容类型

• 期刊论文 [17]

发表日期

• 2026 [1]
• 2025 [2]
• 2024 [2]
• 2023 [2]
• 2018 [1]
• 2016 [3]
• 更多

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： 请选择发表日期升序发表日期降序题名升序题名降序提交时间升序提交时间降序作者升序作者降序 Dynamic-GLEP: a dynamics-informed deep learning framework for ligand efficacy prediction in representative Class A GPCRs 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2026, 卷号: 27, 期号: 1, 页码: 15 作者:  Chen, Zhiyi;  Hao, Yongxin;  Su, Yuhong;  Agren, Hans;  Chen, Mingan   |  收藏  |  浏览/下载：1/0  |  提交时间：2026/04/01 GPCR ligand efficacy  molecular dynamics  conformational ensembles  deep learning  structure-based drug design  transfer learning   Structure-Based Development of Ultra-Broad-Spectrum 3C-Like Protease Inhibitors 期刊论文  OAI收割 ADVANCED SCIENCE, 2025, 页码: 17 作者:  Su, Haixia;  Nie, Tianqing;  Chen, Guofeng;  Xiong, Muya;  Zhang, Yumin   |  收藏  |  浏览/下载：3/0  |  提交时间：2026/01/29 3C-like protease  conservation analysis of the binding pocket  co-crystal structure  structure-based drug design  ultra-broad-spectrum inhibitors   An update for AlphaFold3 versus experimental structures: assessing the precision of small molecule binding in GPCRs 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 10 作者:  Shen, Shi-yi;  Li, Jun-rui;  Wang, Yu-song;  Li, Shao-ning;  Xu, H. Eric   |  收藏  |  浏览/下载：4/0  |  提交时间：2025/09/09 GPCR  AlphaFold3  experimental structures  global receptor architecture  orthosteric binding pockets  allosteric modulator  structure-based drug design   AlphaFold3 versus experimental structures: assessment of the accuracy in ligand-bound G protein-coupled receptors 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2024, 页码: 12 作者:  He, Xin-heng;  Li, Jun-rui;  Shen, Shi-yi;  Xu, H. Eric   |  收藏  |  浏览/下载：59/0  |  提交时间：2025/01/14 AlphaFold  structure-based drug design  artificial intelligence  GPCR  structural biology   Discovery of a 1,6-naphthyridin-4-one-based AXL inhibitor with improved pharmacokinetics and enhanced in vivo antitumor efficacy 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 17 作者:  Lan, Yaohan;  Peng, Xia;  Ji, Yinchun;  Su, Yi;  Duan, Wenhu   |  收藏  |  浏览/下载：85/0  |  提交时间：2024/02/27 AXL inhibitor  In vivo antitumor efficacy  6-Naphthyridin-4-one derivatives  Scaffold hopping  Structure-based drug design   Structure-based drug discovery of novel fused- pyrazolone carboxamide derivatives as potent and selective AXL inhibitors 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2023, 卷号: 13, 期号: 12, 页码: 4918-4933 作者:  Fang, Feifei;  Dai, Yang;  Wang, Hao;  Ji, Yinchun;  Liang, Xuewu   |  收藏  |  浏览/下载：57/0  |  提交时间：2024/01/26 derivatives  Antitumor drug development  Potential AXL inhibitor  Antitumor activity  Structure-based drug design  Fused-pyrazolone carboxamide   Design, synthesis and pharmacological evaluation of 2,3-dihydrobenzo-furan IRAK4 inhibitors for the treatment of diffuse large B-cell lymphoma 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 256, 页码: 16 作者:  Chen, Yun;  Ning, Yi;  Chen, Zhiwei;  Xue, Yaping;  Wu, Qingyun   |  收藏  |  浏览/下载：61/0  |  提交时间：2023/10/17 Apoptosis  Diffuse large B-Cell lymphoma  Interleukin-1 receptor associated kinase 4  Structure-based drug design  2  3-Dihydrobenzofuran   Design, synthesis and biological evaluation of tetrahydronaphthyridine derivatives as bioavailable CDK4/6 inhibitors for cancer therapy 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2018, 卷号: 148, 页码: 140-153 作者:  Zha, Chuantao;  Deng, Wenjia;  Fu, Yan;  Tang, Shuai;  Lan, Xiaojing   |  收藏  |  浏览/下载：110/0  |  提交时间：2019/01/08 Structure-based drug design  Selective CDK4/6 inhibitors  Structure-activity relationship study  In vivo antitumor activity   Discovery of 5-(methylthio)pyrimidine derivatives as L858R/T790M mutant selective epidermal growth factor receptor (EGFR) inhibitors 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY, 2016, 卷号: 24, 期号: 12, 页码: 2673-2680 作者:  Xiao, Qiang;  Qu, Rong;  Gao, Dingding;  Yan, Qi;  Tong, Linjiang   |  收藏  |  浏览/下载：43/0  |  提交时间：2019/01/08 5-(Methylthio)pyrimidine derivatives  Mutant selective inhibitors  Epidermal growth factor inhibitor  NSCLC  Structure-based drug design   Discovery and structure activity relationship study of novel indazole amide inhibitors for extracellular signal-regulated kinase1/2 (ERK1/2) 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2016, 卷号: 26, 期号: 11, 页码: 2600-2604 作者:  Li, Lei;  Liu, Feifei;  Jin, Nan;  Tang, Shuai;  Chen, Zhuxi   |  收藏  |  浏览/下载：54/0  |  提交时间：2019/01/08 ERK1/2 kinase inhibitor  Indazole amide  Structure based drug design