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浏览/检索结果: 共134条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序作者升序作者降序题名升序题名降序发表日期升序发表日期降序 Advancing active compound discovery for novel drug targets: insights from AI-driven approaches 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 12 作者:  Wang, Xing-you;  Chen, Yang;  Li, Yu-fan;  Wei, Chao-yang;  Liu, Meng-ya   |  收藏  |  浏览/下载：6/0  |  提交时间：2025/08/20 AI-driven drug discovery  novel drug targets  molecular design  ligand exploration  phenotypic drug discovery  undruggable targets   Enhanced molecular stability of ApxII antigen during secretion in Corynebacterium glutamicum by rational design 期刊论文  OAI收割 JOURNAL OF BIOTECHNOLOGY, 2024, 卷号: 394 作者:  Liu, Xiuxia;  Yang, Shujie;  Sun, Manman;  Gao, Alex Xiong;  Fan, Ziming   |  收藏  |  浏览/下载：27/0  |  提交时间：2024/11/20 Truncated ApxII  Molecular stability towards proteolytic  degradation  Corynebacterium glutamicum  Rational 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：41/0  |  提交时间：2024/02/19 computational chemistry  drug design  force field  machine learning  molecular modeling   Molecular Design of Competitive Solvation Electrolytes for Practical High-Energy and Long-Cycling Lithium-Metal Batteries 期刊论文  OAI收割 ADVANCED FUNCTIONAL MATERIALS, 2023, 页码: 11 作者:  Zhang, Guangzhao;  Li, Jiawei;  Chi, Shang-Sen   |  收藏  |  浏览/下载：37/0  |  提交时间：2024/04/07 bipolar molecule  competitive solvation electrolyte  high voltage  lithium metal batteries  molecular design   Cyano Substituent on the Olefin Linkage: Promoting Rather than Inhibiting the Performance of Covalent Organic Frameworks 期刊论文  OAI收割 ACS CATALYSIS, 2022, 卷号: 12, 期号: 17, 页码: 10718-10726 作者:  Yang, Yongliang;  Luo, Na;  Lin, Shiyun;  Yao, Huan;  Cai, Yaqi   |  收藏  |  浏览/下载：38/0  |  提交时间：2022/11/08 MOLECULAR DESIGN  CRYSTALLINE  PHOTOCATALYST  EMISSION   Rational Design by Structural Biology of Industrializable, Long-Acting Antihyperglycemic GLP-1 Receptor Agonists 期刊论文  OAI收割 PHARMACEUTICALS, 2022, 卷号: 15 作者:  Sun, Lei;  Zheng, Zhi-Ming;  Shao, Chang-Sheng;  Zhang, Zhi-Yong;  Li, Ming-Wei   |  收藏  |  浏览/下载：32/0  |  提交时间：2022/12/22 glucagon-like peptide-1  GLP-1 receptor agonist  functional protein design  molecular dynamics simulation  long-acting antihyperglycemic   Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives 期刊论文  OAI收割 ADVANCED ENERGY MATERIALS, 2022, 页码: 29 作者:  Olsson, Emilia;  Yu, Jiale;  Zhang, Haiyan;  Cheng, Hui-Ming;  Cai, Qiong   |  收藏  |  浏览/下载：50/0  |  提交时间：2022/07/14 anodes  density functional theory  lithium-ion batteries  materials design  molecular dynamics  potassium-ion batteries  sodium-ion batteries   The One-pot Encapsulation of Palladium Complexes into Covalent Organic Frameworks Enables the Alkoxycarbonylation of Olefins 期刊论文  OAI收割 CHEMCATCHEM, 2021, 页码: 12 作者:  Yang, Xin;  Du, Yi-Ran;  Guan, Peng-Xin;  Liu, Hong-Ying;  Wang, Yao-Feng   |  收藏  |  浏览/下载：74/0  |  提交时间：2022/06/15 alkoxycarbonylation of olefins  catalyst design  covalent organic frameworks  encapsulation of molecular complex  heterogeneous catalysis   Rational drug design of benzothiazole-based derivatives as potent signal transducer and activator of transcription 3 (STAT3) signaling pathway inhibitors 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 216, 页码: 20 作者:  Gao, Dingding;  Jin, Nan;  Fu, Yixian;  Zhu, Yueyue;  Wang, Yujie   |  收藏  |  浏览/下载：65/0  |  提交时间：2021/06/11 STAT3 signaling pathway  Benzothiazole  Rational design  Antitumor activity  Molecular docking   Double-Layer Nitrogen-Rich Two-Dimensional Anionic Uranyl-Organic Framework for Cation Dye Capture and Catalytic Fixation of Carbon Dioxide 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2021, 卷号: 60, 期号: 15, 页码: 11485-11495 作者:  Kong, Xiang-He;  Hu, Kong-Qiu;  Mei, Lei;  Li, Ailin;  Liu, Kang   |  收藏  |  浏览/下载：47/0  |  提交时间：2021/12/01 COORDINATION POLYMERS  MOLECULAR-ENERGIES  NANOSHEETS  CHEMISTRY  DESIGN  COMPOSITES  ACTINIDES  MOFS