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浏览/检索结果: 共347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发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Application of ensemble learning for predicting GABAA receptor agonists 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2024, 卷号: 169, 页码: 13 作者:  Xiao, Fu;  Ding, Xiaoyu;  Shi, Yan;  Wang, Dingyan;  Wang, Yitian   |  收藏  |  浏览/下载：10/0  |  提交时间：2024/03/25 GABA(A )receptor  Benzodiazepine  Agonist  Machine learning  Classification   Discovery of hematopoietic progenitor kinase 1 inhibitors using machine learning-based screening and free energy perturbation 期刊论文  OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 页码: 13 作者:  Feng, Dazhi;  Liu, Bo;  Chen, Zhiwei;  Xu, Jinyi;  Geng, Meiyu   |  收藏  |  浏览/下载：24/0  |  提交时间：2024/02/27 HPK1 inhibitor  machine learning  virtual screening  free energy perturbation  structural modification   Discovery of novel isopropanolamine inhibitors against MoTPS1 as potential fungicides with unique mechanisms 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 260, 页码: 14 作者:  Jiang, Zhiyang;  Shi, Dongmei;  Chen, Yitong;  Li, Huilin;  Wang, Jin 'e   |  收藏  |  浏览/下载：8/0  |  提交时间：2023/12/08 Rice blast  Trehalose-6-phosphate synthase  Isopropanolamine compounds  Inhibitor  Fungicidal mechanism   Discovery of novel cGAS inhibitors based on natural flavonoids 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2023, 卷号: 140, 页码: 14 作者:  Li, Jiameng;  Xiong, Muya;  Liu, Jiayuan;  Zhang, Fengping;  Li, Minjun   |  收藏  |  浏览/下载：6/0  |  提交时间：2023/12/08 Cyclic GMP-AMP synthase  Inhibitor  Flavonoids  Crystal structure  Virtual screening   Identification of 3H-benzo[b] [1,4] diazepine derivatives as PPAR alpha agonists by in silico studies and biochemical evaluation 期刊论文  OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 页码: 16 作者:  Li, Yue;  Lv, Mengjia;  Shen, Meiling;  Gu, Xi;  Zhang, Li   |  收藏  |  浏览/下载：11/0  |  提交时间：2023/10/17 NAFLD  PPAR alpha agonist  virtual screening  biochemical evaluation   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：21/0  |  提交时间：2023/10/17 Target prediction  Virtual screening  Molecular docking  Ligand similarity search  Deep learning   Discovery of Novel SIRT1/2 Inhibitors with Effective Cytotoxicity against Human Leukemia Cells 期刊论文  OAI收割 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2023, 页码: 11 作者:  Cai, Haiyan;  Wang, Yingying;  Zhang, Jing;  Wei, Zhenquan;  Yan, Teng   |  收藏  |  浏览/下载：16/0  |  提交时间：2023/10/17 MEDIATE-Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions 期刊论文  OAI收割 EXPERT OPINION ON DRUG DISCOVERY, 2023, 页码: 13 作者:  Vistoli, Giulio;  Manelfi, Candida;  Talarico, Carmine;  Fava, Anna;  Warshel, Arieh   |  收藏  |  浏览/下载：8/0  |  提交时间：2023/10/17 Collaborative computing  virtual screening  docking simulations  drug repurposing  SARS-CoV-2  artificial intelligence   Repurposed Fenoprofen Targeting SaeR Attenuates Staphylococcus aureus Virulence in Implant-Associated Infections 期刊论文  OAI收割 ACS CENTRAL SCIENCE, 2023, 页码: 20 作者:  Jiang, Feng;  Chen, Yingjia;  Yu, Jinlong;  Zhang, Feiyang;  Liu, Qian   |  收藏  |  浏览/下载：24/0  |  提交时间：2023/10/17 Discovery of 4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-7-carboxamide derivatives as PI3K alpha inhibitors via virtual screening and docking-based structure optimization 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY, 2023, 卷号: 86, 页码: 15 作者:  Gu, Dongyan;  Zhang, Mengmeng;  Cai, Lvtao;  Wang, Chang;  Zhou, Yu -Bo   |  收藏  |  浏览/下载：7/0  |  提交时间：2023/10/17 PI3K alpha inhibitors  Virtual screening  Structure optimization