机构

• 上海药物研究所 [2]
• 西北高原生物研究所 [2]
• 计算技术研究所 [1]
• 化学研究所 [1]
• 大连化学物理研究所 [1]
• 中国科学院大学 [1]
• 更多

采集方式

• OAI收割 [7]
• iSwitch采集 [1]

内容类型

• 期刊论文 [8]

发表日期

• 2025 [2]
• 2024 [1]
• 2021 [1]
• 2016 [1]
• 2015 [2]
• 2009 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共8条，第1-8条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择作者升序作者降序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 Contrastive learning-based drug screening model for GluN1/GluN3A inhibitors 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 13 作者:  Li, Kun;  Zeng, Yue;  Xiong, Yi-da;  Wu, Hao-chen;  Fang, Sui   |  收藏  |  浏览/下载：31/0  |  提交时间：2025/08/20 drug-target affinity prediction  virtual screening  contrastive learning  graph neural network  N-methyl-D-aspartate (NMDA) receptors  GluN3A subunit.   Drug Target Investigation of N-p-Coumaroyl-N'-Caffeoylputrescine, a Naturally-Occurring Alkaloid Derived from Saxifraga tangutica 期刊论文  OAI收割 ANTIOXIDANTS, 2025, 卷号: 14, 期号: 1 作者:  Liu, Chuang;  Dang, Jun;  Wu, Minchen   |  收藏  |  浏览/下载：15/0  |  提交时间：2025/11/27 Saxifraga tangutica  N-p-coumaroyl-N'-caffeoylputrescine  drug affinity responsive target stability  reverse virtual docking  molecular dynamics simulation   Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions From 3D Structures 期刊论文  OAI收割 IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE, 2024, 卷号: 46, 期号: 12, 页码: 8191-8208 作者:  Yang, Ziduo;  Zhong, Weihe;  Lv, Qiujie;  Dong, Tiejun;  Chen, Guanxing   |  收藏  |  浏览/下载：56/0  |  提交时间：2025/01/14 Proteins  Programmable logic arrays  Three-dimensional displays  Predictive models  Graph neural networks  Data models  Convolution  Protein-ligand binding affinity  graph neural networks  inductive bias  drug-target interaction  structure-based virtual screening   Comprehensive screening and separation of cyclooxygenase-2 inhibitors from Pterocephalus hookeri by affinity solid-phase extraction coupled with preparative high-performance liquid chromatography 期刊论文  OAI收割 JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 2021, 卷号: 1183 作者:  Zhu, Yunhe;  Wang, Weidong;  Liu, Zenggen;  Jiang, Sirong;  Tao, Yanduo   |  收藏  |  浏览/下载：54/0  |  提交时间：2021/11/18 Pterocephalus hookeri  Cyclooxygenase-2 inhibitors  Affinity solid-phase extraction  Preparative HPLC  Target separation   Pred-binding: large-scale protein-ligand binding affinity prediction 期刊论文  iSwitch采集 Journal of enzyme inhibition and medicinal chemistry, 2016, 卷号: 31, 期号: 6, 页码: 1443-1450 作者:  Shar, Piar Ali;  Tao, Weiyang;  Gao, Shuo;  Huang, Chao;  Li, Bohui 收藏  |  浏览/下载：108/0  |  提交时间：2019/05/09 Binding affinity prediction  Drug target interaction  Random forest  Support vector machine   Online learning affinity measure with CovBoost for multi-target tracking 期刊论文  OAI收割 NEUROCOMPUTING, 2015, 卷号: 168, 页码: 327-335 作者:  Li, Guorong;  Huang, Qingming;  Jiang, Shuqiang;  Xu, Yingkun;  Zhang, Weigang   |  收藏  |  浏览/下载：29/0  |  提交时间：2019/12/13 Multi-target tracking  Tracklet affinity  CovBoost  Online learning   Affinity purification in target identification: the specificity challenge 期刊论文  OAI收割 archives of pharmacal research, 2015, 卷号: 38, 期号: 9, 页码: 1661-1685 作者:  Zheng, Wenlu;  Li, Gang;  Li, Xiaoyu 收藏  |  浏览/下载：156/0  |  提交时间：2015/11/17 Target identification  Affinity purification  Small molecule  Phenotypic screening  Protein-ligand interaction  Specificity   Optimization of hypocrellin B derivative amphiphilicity and biological activity 期刊论文  OAI收割 CHINESE SCIENCE BULLETIN, 2009, 卷号: 54, 期号: 12, 页码: 2045-2050 作者:  Liu Xin;  Xie Jie;  Zhang LuYong;  Chen HongXia;  Gu Ying   |  收藏  |  浏览/下载：47/0  |  提交时间：2019/04/09 Hypocrellin Derivatives  PhoTodynamic Therapy To Vas Capillary Diseases  Drug Delivery  Target Affinity  Epr Spectra  Phtotoxicity