机构

• 上海药物研究所 [3]

采集方式

• OAI收割 [3]

内容类型

• 期刊论文 [3]

发表日期

• 2026 [1]
• 2018 [1]
• 2008 [1]

学科主题

筛选

浏览/检索结果: 共3条，第1-3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：5/0  |  提交时间：2026/04/01 GPCR ligand efficacy  molecular dynamics  conformational ensembles  deep learning  structure-based drug design  transfer learning   Identification and Characterizations of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Scaffold Hopping- and 2D-Molecular Fingerprint-Based Similarity Search 期刊论文  OAI收割 MOLECULES, 2018, 卷号: 23, 期号: 3 作者:  Ding, Hong;  Lu, Wen Chao;  Hu, Jun Chi;  Liu, Yu-Chih;  Zhang, Chen Hua   |  收藏  |  浏览/下载：84/0  |  提交时间：2019/01/08 SET7  inhibitor  similarity search  ligand-based drug design  chemical biology probe   Induced-fit or preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design 期刊论文  OAI收割 PROTEIN SCIENCE, 2008, 卷号: 17, 期号: 4, 页码: 601-605 作者:  Xu, Yechun;  Colletier, Jacques Ph.;  Jiang, Hualiang;  Silman, Israel;  Sussman, Joel L.   |  收藏  |  浏览/下载：39/0  |  提交时间：2019/01/08 x-ray crystallography  protein dynamics  conformational energy landscape  ligand binding  structure-based drug design  molecular dynamics simulation  acetylcholinesterase