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浏览/检索结果: 共209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：12/0  |  提交时间：2024/03/25 GABA(A )receptor  Benzodiazepine  Agonist  Machine learning  Classification   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:     |  收藏  |  浏览/下载：8/0  |  提交时间：2023/12/08 Cyclic GMP-AMP synthase  Inhibitor  Flavonoids  Crystal structure  Virtual screening   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   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   MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 42 作者:  Liu, Xiaohong;  Zhang, Wei;  Tong, Xiaochu;  Zhong, Feisheng;  Li, Zhaojun   |  收藏  |  浏览/下载：4/0  |  提交时间：2024/03/27 De novo molecule design  Generative models  Deep learning  Virtual screening  Compound quality control   Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2022, 页码: 14 作者:  Wang, Dong;  Wu, Zhenxing;  Shen, Chao;  Bao, Lingjie;  Luo, Hao   |  收藏  |  浏览/下载：26/0  |  提交时间：2023/04/10 uncertainty estimation  graph neural network  KDM1A  LSD1 inhibitors  upper confidence bound method  virtual screening   Deffini: A family-specific deep neural network model for structure-based virtual screening 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2022, 卷号: 151, 页码: 8 作者:  Zhou, Dixin;  Liu, Fei;  Zheng, Yiwen;  Hu, Liangjian;  Huang, Tao   |  收藏  |  浏览/下载：9/0  |  提交时间：2023/04/10 Virtual screening  Protein family -specific model  Structure -based  Convolutional neural network  Drug discovery   Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement 期刊论文  OAI收割 PHARMACEUTICS, 2022, 卷号: 14, 期号: 10, 页码: 19 作者:  Xiao, Fu;  Cheng, Yinxiang;  Wang, Jian-Rong;  Wang, Dingyan;  Zhang, Yuanyuan   |  收藏  |  浏览/下载：23/0  |  提交时间：2022/12/13 bexarotene  cocrystal prediction  GCN  bioavailability