机构

• 上海药物研究所 [8]
• 大连化学物理研究所 [4]
• 力学研究所 [2]
• 金属研究所 [2]
• 计算技术研究所 [1]
• 昆明植物研究所 [1]
• 更多

采集方式

• OAI收割 [19]

内容类型

• 期刊论文 [19]

发表日期

• 2024 [2]
• 2023 [1]
• 2022 [3]
• 2021 [1]
• 2017 [1]
• 2015 [3]
• 更多

学科主题

• Biochemist... [1]
• Biotechnol... [1]
• Multidisci... [1]
• 物理化学 [1]

筛选

浏览/检索结果: 共19条，第1-10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 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：9/0  |  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   A new paradigm for applying deep learning to protein-ligand interaction prediction 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 25, 期号: 3, 页码: 12 作者:  Wang, Zechen;  Wang, Sheng;  Li, Yangyang;  Guo, Jingjing;  Wei, Yanjie   |  收藏  |  浏览/下载：3/0  |  提交时间：2024/12/06 protein-ligand interaction  scoring function  deep learning  graph neural network   Intercellular Receptor-ligand Binding: Effect of Protein-membrane Interaction 期刊论文  OAI收割 JOURNAL OF MOLECULAR BIOLOGY, 2023, 卷号: 435, 期号: 1, 页码: 17 作者:  Li, Long;  Ji, Jing;  Song, Fan;  Hu, Jinglei;  Song F(宋凡)   |  收藏  |  浏览/下载：56/0  |  提交时间：2023/03/08 Protein-membrane interaction  Intercellular receptor-ligand binding  Membrane fluctuations and curvature  Glycocalyx  Lipid raft   Insights into intercellular receptor-ligand binding kinetics in cell communication 期刊论文  OAI收割 FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY, 2022, 卷号: 10, 页码: 953353 作者:  An, Chenyi;  Wang, Xiaohuan;  Song F(宋凡);  Hu, Jinglei;  Li L(李龙)   |  收藏  |  浏览/下载：42/0  |  提交时间：2022/10/23 cell communication  intercellular receptor-ligand binding kinetics  protein-membrane interaction  biomechanical force  bioelectric microenvironment   Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy 期刊论文  OAI收割 Magnetic Resonance Letters, 2022, 卷号: 2, 期号: 2, 页码: 107-118 作者:  Wang, Lei;  Gao, Jia;  Ma, Rongsheng;  Liu, Yaqian;  Liu, Mingqing   |  收藏  |  浏览/下载：22/0  |  提交时间：2024/03/14 Fragment-based lead/drug discovery  NMR spectroscopy  Protein-ligand interaction  Complex structure  Hit-to-lead evolution   Modulating effects of RAMPs on signaling profiles of the glucagon receptor family 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2022, 卷号: 12, 期号: 2, 页码: 637-650 作者:  Shao, Lijun;  Chen, Yan;  Zhang, Shikai;  Zhang, Zhihui;  Cao, Yongbing   |  收藏  |  浏览/下载：36/0  |  提交时间：2022/06/15 G protein-coupled receptor  Glucagon receptor family  Receptor activity-modulating protein  Signaling  Allosteric modulation  GPCR-RAMP interaction  Receptor pharmacology  Ligand selectivity   Discovery of pseudolaric acid A as a new Hsp90 inhibitor uncovers its potential anticancer mechanism 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2021, 卷号: 112, 页码: 104963 作者:  Liu,Jiangxin;  Wu,Xing-De;  Li,Wenyan;  Yuan,Zaifeng;  Yang,Kun   |  收藏  |  浏览/下载：26/0  |  提交时间：2022/04/02 Pseudolaric acid A  Hsp90 inhibitor  Apoptosis  NMR  Structure-activity relationship  Photoaffinity-based probe  Protein-ligand interaction  MOLECULAR CHAPERONE  PROTEIN  TARGET  CANCER  KINASE  NMR  IDENTIFICATION  SELECTIVITY  BINDING  DESIGN   Inhibition of human catechol-O-methyltransferase-mediated dopamine O-methylation by daphnetin and its Phase II metabolites 期刊论文  OAI收割 XENOBIOTICA, 2017, 卷号: 47, 期号: 6, 页码: 498-504 作者:  Tu, Cai-Xia;  Liang, Si-Cheng;  Ge, Guang-Bo;  Xia, Yang-Liu;  Dong, Pei-Pei 收藏  |  浏览/下载：23/0  |  提交时间：2017/10/29 Daphnetin  COMT inhibitor  8-O-methyldaphnetin  ligand-protein interaction  Phase II metabolite  structural modification   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：140/0  |  提交时间：2015/11/17 Target identification  Affinity purification  Small molecule  Phenotypic screening  Protein-ligand interaction  Specificity   A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions 期刊论文  OAI收割 JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 期号: 6 作者:  Yang, Zhuo;  Liu, Yingtao;  Chen, Zhaoqiang;  Xu, Zhijian;  Shi, Jiye   |  收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08 Halogen bonding  sigma-hole  Protein-ligand interaction  Quantum mechanics  Scoring function