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• 上海药物研究所 [57]
• 福建物质结构研究所 [5]
• 西北高原生物研究所 [5]
• 长春应用化学研究所 [5]
• 化学研究所 [4]
• 昆明植物研究所 [3]
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• OAI收割 [103]
• iSwitch采集 [2]

内容类型

• 期刊论文 [105]

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• 2024 [6]
• 2023 [5]
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浏览/检索结果: 共105条，第1-10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 AlphaFold3 versus experimental structures: assessment of the accuracy in ligand-bound G protein-coupled receptors 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2024, 页码: 12 作者:  He, Xin-heng;  Li, Jun-rui;  Shen, Shi-yi;  Xu, H. Eric   |  收藏  |  浏览/下载：52/0  |  提交时间：2025/01/14 AlphaFold  structure-based drug design  artificial intelligence  GPCR  structural biology   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：43/0  |  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   |  收藏  |  浏览/下载：59/0  |  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：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   Discovery of a 1,6-naphthyridin-4-one-based AXL inhibitor with improved pharmacokinetics and enhanced in vivo antitumor efficacy 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 17 作者:  Lan, Yaohan;  Peng, Xia;  Ji, Yinchun;  Su, Yi;  Duan, Wenhu   |  收藏  |  浏览/下载：79/0  |  提交时间：2024/02/27 AXL inhibitor  In vivo antitumor efficacy  6-Naphthyridin-4-one derivatives  Scaffold hopping  Structure-based drug design   Structure-based development of potent and selective type-II kinase inhibitors of RIPK1 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2024, 卷号: 14, 期号: 1, 页码: 319-334 作者:  Qin, Ying;  Li, Dekang;  Qi, Chunting;  Xiang, Huaijiang;  Meng, Huyan   |  收藏  |  浏览/下载：72/0  |  提交时间：2024/03/06 RIPK1  Necroptosis  Type-II kinase inhibitors  Rational design  Lead optimization  Structure-activity relationship  Anti-inflammation  Preclinical drug discovery   Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 262, 页码: 14 作者:  Liu, Jiayuan;  Zhang, Xianglei;  Chen, Guofeng;  Shao, Qiang;  Zou, Yi   |  收藏  |  浏览/下载：74/0  |  提交时间：2024/01/16 Phosphodiesterase-4 (PDE4)  PDE5  Inhibitor  Drug repurposing  Crystal structure  Structure -guided optimization   Structure-based drug discovery of novel fused- pyrazolone carboxamide derivatives as potent and selective AXL inhibitors 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2023, 卷号: 13, 期号: 12, 页码: 4918-4933 作者:     |  收藏  |  浏览/下载：53/0  |  提交时间：2024/01/26 derivatives  Antitumor drug development  Potential AXL inhibitor  Antitumor activity  Structure-based drug design  Fused-pyrazolone carboxamide   Identification of [1,2,4]Triazolo[4,3-a]pyrazine PARP1 inhibitors with overcome acquired resistance activities 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 259, 页码: 19 作者:  Wang, Pingyuan;  Zhu, Wen-Ting;  Wang, Yajing;  Song, Shan-Shan;  Xi, Yong   |  收藏  |  浏览/下载：98/0  |  提交时间：2023/10/17 PARP1 inhibitor  Synthetic lethality  Drug resistance  Anticancer  Structure -activity relationship   Advances in Structure Pharmaceutics from Discovery to Evaluation and Design 期刊论文  OAI收割 MOLECULAR PHARMACEUTICS, 2023, 页码: 26 作者:  Xu, Huipeng;  Wu, Li;  Xue, Yanling;  Yang, Ting;  Xiong, Ting   |  收藏  |  浏览/下载：113/0  |  提交时间：2023/10/17 structure pharmaceutics  drug delivery systems  three-dimension  quality evaluation  structuredesign