机构

• 上海药物研究所 [23]

采集方式

• OAI收割 [23]

内容类型

• 期刊论文 [23]

发表日期

• 2024 [1]
• 2022 [1]
• 2021 [2]
• 2020 [3]
• 2019 [1]
• 2018 [3]
• 更多

学科主题

筛选

浏览/检索结果: 共23条，第1-10条 帮助 限定条件 专题：上海药物研究所    第一署名单位    第一作者单位    通讯作者单位     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序题名升序题名降序作者升序作者降序发表日期升序发表日期降序 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：15/0  |  提交时间：2024/02/19 computational chemistry  drug design  force field  machine learning  molecular modeling   Graph neural network approaches for drug-target interactions 期刊论文  OAI收割 CURRENT OPINION IN STRUCTURAL BIOLOGY, 2022, 卷号: 73, 页码: 102327 作者:  Zhang, Zehong;  Chen, Lifan;  Zhong, Feisheng;  Wang, Dingyan;  Jiang, Jiaxin   |  收藏  |  浏览/下载：13/0  |  提交时间：2024/03/21 Picture-word order compound protein interaction: Predicting compound-protein interaction using structural images of compounds 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021, 页码: 10 作者:  Qian, Ying;  Li, Xuelian;  Wu, Jian;  Zhou, Aimin;  Xu, Zhijian   |  收藏  |  浏览/下载：73/0  |  提交时间：2022/01/04 compound-protein interaction  convolutional neural network (CNN)  drug-drug interaction  image processing  structural images   Insights into agonist-elicited activation of the human glucose-dependent insulinotropic polypeptide receptor 期刊论文  OAI收割 BIOCHEMICAL PHARMACOLOGY, 2021, 卷号: 192, 页码: 16 作者:  Yuliantie, Elita;  van der Velden, Wijnand J. C.;  Labroska, Viktorija;  Dai, Antao;  Zhao, Fenghui   |  收藏  |  浏览/下载：94/0  |  提交时间：2021/11/04 Glucose-dependent insulinotropic polypeptide receptor  G protein-coupled receptor  GPCR structure-function relationship  ERK  cAMP  Arrestin   Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737 作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao   |  收藏  |  浏览/下载：35/0  |  提交时间：2020/12/21 Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737 作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao   |  收藏  |  浏览/下载：20/0  |  提交时间：2020/12/21 Active constituents and mechanisms of Respiratory Detox Shot, a traditional Chinese medicine prescription, for COVID-19 control and prevention: Network -molecular docking-LC-MSE analysis 期刊论文  OAI收割 JOURNAL OF INTEGRATIVE MEDICINE-JIM, 2020, 卷号: 18, 期号: 3, 页码: 229-241 作者:  Zhang, Zi-jia;  Wu, Wen-yong;  Hou, Jin-jun;  Zhang, Lin-lin;  Li, Fei-fei   |  收藏  |  浏览/下载：61/0  |  提交时间：2020/07/01 Lung-toxin Dispelling Formula No. 1  COVID-19  3C-like protease  Network pharmacology  Molecular docking  Meridian tropism   Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 17 作者:  Li, Fei;  Wan, Xiaozhe;  Xing, Jing;  Tan, Xiaoqin;  Li, Xutong   |  收藏  |  浏览/下载：17/0  |  提交时间：2020/07/01 deep neural network  virtual screening  methyltransferase  epigenetic  drug design   Artificial intelligence in drug design 期刊论文  OAI收割 SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204 作者:  Zhong, Feisheng;  Xing, Jing;  Li, Xutong;  Liu, Xiaohong;  Fu, Zunyun   |  收藏  |  浏览/下载：28/0  |  提交时间：2019/01/08 drug design  artificial intelligence  deep learning  QSAR  ADME/T   Structural basis of ligand binding modes at the neuropeptide Y Y-1 receptor 期刊论文  OAI收割 NATURE, 2018, 卷号: 556, 期号: 7702, 页码: 520-+ 作者:  Yang, Zhenlin;  Han, Shuo;  Keller, Max;  Kaiser, Anette;  Bender, Brian J.   |  收藏  |  浏览/下载：38/0  |  提交时间：2019/01/08