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浏览/检索结果: 共155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 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：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   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   Extending the Record of Terpenes from Soft Coral Sarcophyton mililatensis 期刊论文  OAI收割 CHEMISTRY & BIODIVERSITY, 2023, 卷号: 20, 期号: 4 作者:  Yang, Min;  Ge, Zeng-Yue;  Chen, Zi-Hui;  Yao, Li-Gong;  Liang, Lin-Fu   |  收藏  |  浏览/下载：2/0  |  提交时间：2024/03/27 soft coral  Sarcophyton mililatensis  terpene  structural elucidation  SARS-CoV-2 M-pro inhibitor   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   DeepBindBC: A practical deep learning method for identifying native-like protein-ligand complexes in virtual screening 期刊论文  OAI收割 METHODS, 2022, 卷号: 205, 页码: 247-262 作者:  Zhang, Haiping;  Zhang, Tingting;  Saravanan, Konda Mani;  Liao, Linbu;  Wu, Hao   |  收藏  |  浏览/下载：7/0  |  提交时间：2023/07/12 Native like protein-ligand  Drug virtual screening  ResNet  Deep learning  Human pancreatic alpha amylase inhibitor   An Efficient Modern Strategy to Screen Drug Candidates Targeting RdRp of SARS-CoV-2 With Potentially High Selectivity and Specificity 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2022, 卷号: 10, 页码: 13 作者:  Zhang, Haiping;  Gong, Xiaohua;  Peng, Yun;  Saravanan, Konda Mani;  Bian, Hengwei   |  收藏  |  浏览/下载：28/0  |  提交时间：2022/12/07 antiviral agent  RdRp  compound specificity estimation  virtual screening  tubeimoside III   Validation of Deep Learning-Based DFCNN in Extremely Large-Scale Virtual Screening and Application in Trypsin I Protease Inhibitor Discovery 期刊论文  OAI收割 FRONTIERS IN MOLECULAR BIOSCIENCES, 2022, 卷号: 9, 页码: 15 作者:  Zhang, Haiping;  Lin, Xiao;  Wei, Yanjie;  Zhang, Huiling;  Liao, Linbu   |  收藏  |  浏览/下载：16/0  |  提交时间：2022/12/07 extremely large-scale virtual screening  deep learning  DFCNN  Trypsin I Protease  de novo drug screening   Discovery of PHGDH inhibitors by virtual screening and preliminary structure-activity relationship study 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2022, 卷号: 121, 页码: 13 作者:  Zhang, Fu-Mao;  Yuan, Liang;  Shi, Xin-Wei;  Feng, Kai-Rui;  Lan, Xiaojing   |  收藏  |  浏览/下载：22/0  |  提交时间：2022/06/15 Virtual screening  PHGDH  Structure-activity relationships  Antitumor