中国科学院机构知识库网格系统: 检索

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	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：7/0 \| 提交时间：2025/07/25 N-methyl-D-aspartate receptors GluN1/GluN3A ligand-based virtual screening scaffold hopping deep learning GeminiMol
	Synchrotron Radiation: A Key Tool for Drug Discovery 期刊论文 OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10 作者: Li, Fengcheng; Liu, Runze; Li, Wenjun; Xie, Mingyuan; Qin, Song \| 收藏 \| 浏览/下载：24/0 \| 提交时间：2024/12/06 Synchrotron radiation Drug discovery Protein crystals Structure determination Ligand screening
	Synchrotron Radiation: A Key Tool for Drug Discovery 期刊论文 OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10 作者: Li, Fengcheng; Liu, Runze; Li, Wenjun; Xie, Mingyuan; Qin, Song \| 收藏 \| 浏览/下载：20/0 \| 提交时间：2024/12/06 Synchrotron radiation Drug discovery Protein crystals Structure determination Ligand screening
	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：23/0 \| 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
	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：48/0 \| 提交时间：2023/10/17 Target prediction Virtual screening Molecular docking Ligand similarity search Deep learning
	DeepBindBC: A practical deep learning method for identifying native-like protein-ligand complexes in virtual screening 期刊论文 OAI收割 METHODS, 2022, 卷号: 205, 页码: 247-262 作者: Zhang, Haiping; Zhang, Tingting; Saravanan, Konda Mani; Liao, Linbu; Wu, Hao \| 收藏 \| 浏览/下载：26/0 \| 提交时间：2023/07/12 Native like protein-ligand Drug virtual screening ResNet Deep learning Human pancreatic alpha amylase inhibitor
	Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays 期刊论文 OAI收割 GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 16, 期号: 6, 页码: 416-427 作者: Hou, Tingjun; Li, Dan; Chang, Shan; Xu, Lei; Sun, Huiyong \| 收藏 \| 浏览/下载：290/0 \| 提交时间：2019/06/24 Androgen receptor AR ligand Virtual screening AR agonist AR antagonist
	Phenotypic assessment and ligand screening of ETA/ETB receptors with label-free dynamic mass redistribution assay 期刊论文 OAI收割 NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY, 2019, 卷号: 393, 期号: 6 作者: Qu, Lala; Zhang, Xiuli; Wang, Jixia; Zhou, Han; Hou, Tao \| 收藏 \| 浏览/下载：34/0 \| 提交时间：2020/11/25 Dynamic mass redistribution assay Endothelin receptor type A Endothelin receptor type B High-throughput screening Ligand binding
	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：145/0 \| 提交时间：2015/11/17 Target identification Affinity purification Small molecule Phenotypic screening Protein-ligand interaction Specificity