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浏览/检索结果: 共178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 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：9/0  |  提交时间：2025/01/14 AlphaFold  structure-based drug design  artificial intelligence  GPCR  structural biology   Discovery of the potent covalent inhibitor with an acrylate warhead for SARS-CoV-2 3CL protease 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 112, 页码: 5 作者:  Shen, Wen;  Chen, Xinyao;  Zhou, Liping;  Cheng, Yan;  Zhang, Yan   |  收藏  |  浏览/下载：22/0  |  提交时间：2024/10/21 COVID-19  SARS-CoV-2 3CL pro inhibitor  Drug design  Antiviral activities   Discovery and characterization of novel potent non-covalent small molecule inhibitors targeting papain-like protease from SARS-CoV-2 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2024, 卷号: 14, 期号: 7, 页码: 3286-3290 作者:  Zheng, Miao;  Feng, Bo;  Zhang, Yumin;  Liu, Xin;  Zhao, Na   |  收藏  |  浏览/下载：14/0  |  提交时间：2024/08/22 Non-covalent PLpro inhibitors  Antiviral activity  Structural-based drug design  Imidazo[4,5-b]pyridine scaffold   DockingGA: enhancing targeted molecule generation using transformer neural network and genetic algorithm with docking simulation 期刊论文  OAI收割 BRIEFINGS IN FUNCTIONAL GENOMICS, 2024, 页码: 12 作者:  Gao, Changnan;  Bao, Wenjie;  Wang, Shuang;  Zheng, Jianyang;  Wang, Lulu   |  收藏  |  浏览/下载：16/0  |  提交时间：2024/05/20 molecule generation  molecule optimization  drug discovery  deep learning  drug design  genetic algorithm   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：29/0  |  提交时间：2024/02/27 AXL inhibitor  In vivo antitumor efficacy  6-Naphthyridin-4-one derivatives  Scaffold hopping  Structure-based drug design   The emergence of machine learning force fields in drug design 期刊论文  OAI收割 MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36 作者:  Chen, Mingan;  Jiang, Xinyu;  Zhang, Lehan;  Chen, Xiaoxu;  Wen, Yiming   |  收藏  |  浏览/下载：27/0  |  提交时间：2024/02/19 computational chemistry  drug design  force field  machine learning  molecular modeling   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：23/0  |  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   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:  Fang, Feifei;  Dai, Yang;  Wang, Hao;  Ji, Yinchun;  Liang, Xuewu   |  收藏  |  浏览/下载：23/0  |  提交时间：2024/01/26 derivatives  Antitumor drug development  Potential AXL inhibitor  Antitumor activity  Structure-based drug design  Fused-pyrazolone carboxamide   Development of PI3Kγ selective inhibitors: the strategies and application 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2023, 页码: 10 作者:  Gu, Dong-Yan;  Zhang, Meng-Meng;  Li, Jia;  Zhou, Yu-Bo;  Sheng, Rong   |  收藏  |  浏览/下载：21/0  |  提交时间：2023/12/08 PI3K  PI3K gamma inhibitors  isoform selectivity  drug development  rational drug design   Design, synthesis, and biological evaluation of novel spirocyclic compounds as potential anti-glioblastoma agents 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 258, 页码: 22 作者:  Zhu, Heping;  Song, Xiaomin;  Pan, Yihui;  Li, Ming;  Chen, Liang   |  收藏  |  浏览/下载：30/0  |  提交时间：2023/10/17 Glioblastoma  Spirocyclic compounds  Drug design  Antiproliferation