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

• 2025 [1]
• 2024 [1]
• 2012 [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发表日期升序发表日期降序 Discovery of novel GluN1/GluN3A NMDA receptor inhibitors using a deep learning-based method 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 8 作者:  Wang, Shi-hang;  Zeng, Yue;  Yang, Hao;  Tian, Si-yuan;  Zhou, Yong-qi   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/07/25 N-methyl-D-aspartate receptors  GluN1/GluN3A  ligand-based virtual screening  scaffold hopping  deep learning  GeminiMol   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：19/0  |  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   Discovery of flavonoid derivatives as anti-HCV agents via pharmacophore search combining molecular docking strategy 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2012, 卷号: 52, 页码: 33-43 作者:  Liu, Ming-Ming;  Zhou, Lu;  He, Pei-Lan;  Zhang, Yi-Nan;  Zhou, Jia-Yi   |  收藏  |  浏览/下载：32/0  |  提交时间：2019/01/08 Anti-HCV agents  NS5B polymerase  Flavonoids  Ligand-based pharmacophore  Virtual screening