机构

• 上海药物研究所 [26]
• 昆明植物研究所 [7]
• 金属研究所 [2]
• 过程工程研究所 [1]
• 生态环境研究中心 [1]
• 昆明动物研究所 [1]
• 更多

采集方式

• OAI收割 [38]

内容类型

• 期刊论文 [38]

发表日期

• 2023 [2]
• 2022 [1]
• 2021 [4]
• 2020 [1]
• 2019 [2]
• 2018 [7]
• 更多

学科主题

• Chemistry [1]
• Chemistry,... [1]
• Chemistry,... [1]

筛选

浏览/检索结果: 共38条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 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：39/0  |  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：13/0  |  提交时间：2023/10/17 Collaborative computing  virtual screening  docking simulations  drug repurposing  SARS-CoV-2  artificial intelligence   Identification of PRMT5 inhibitors with novel scaffold structures through virtual screening and biological evaluations 期刊论文  OAI收割 JOURNAL OF MOLECULAR MODELING, 2022, 卷号: 28, 期号: 7, 页码: 184 作者:  Zhang, Qian;  Zhang, Lun;  Jin, Jia;  Fan, Yaohua;  Wang, Xiaoguang   |  收藏  |  浏览/下载：23/0  |  提交时间：2024/03/21 PRMT5  Small-molecule inhibitors  Virtual screening  Molecular docking  Molecular dynamics simulations   Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening 期刊论文  OAI收割 BIOMOLECULES, 2021, 卷号: 11, 期号: 7, 页码: 14 作者:  Zhou, Qingtong;  Guo, Wanjing;  Dai, Antao;  Cai, Xiaoqing;  Vass, Marton   |  收藏  |  浏览/下载：47/0  |  提交时间：2021/08/17 GLP-1R  virtual screening  allosteric modulator  drug discovery  molecular docking   Discovery of New alpha-Glucosidase Inhibitors: Structure-Based Virtual Screening and Biological Evaluation 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2021, 卷号: 9, 页码: 9 作者:  Liu, Shan-Kui;  Hao, Haifang;  Bian, Yuan;  Ge, Yong-Xi;  Lu, Shengyuan   |  收藏  |  浏览/下载：40/0  |  提交时间：2021/05/24 α  -glycosidase  virtual screening  cytotoxicity  type 2 diabetes  molecular docking   Discovery of novel modulators targeting human TRPC5: Docking-based virtual screening, molecular dynamics simulation and binding af fi nity predication 期刊论文  OAI收割 JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 102, 页码: 107795 作者:  Liu,Bin;  Zhang,Wei;  Guo,Sheng;  Zuo,Zhili   |  收藏  |  浏览/下载：44/0  |  提交时间：2022/04/02 hTRPC5  Homology modeling  Molecular docking  Molecular dynamics simulation  Virtual screening  INHIBITOR  CHANNELS  GROMACS  POTENT  AMBER  IDENTIFICATION  CONSTRAINTS  INTEGRATION  AMYGDALA   IDOS: Improved D3DOCK on Spark 期刊论文  OAI收割 BIOINFORMATICS RESEARCH AND APPLICATIONS, ISBRA 2021, 2021, 卷号: 13064, 页码: 436-447 作者:  Cui, Yonghui;  Xu, Zhijian;  Peng, Shaoliang   |  收藏  |  浏览/下载：71/0  |  提交时间：2024/03/21 Molecular docking  Virtual drug screening  Big data  Distributed computing  Spark   Discovery of Novel IDH1 Inhibitor Through Comparative Structure-Based Virtual Screening 期刊论文  OAI收割 FRONTIERS IN PHARMACOLOGY, 2020, 卷号: 11, 页码: 11 作者:  Wang, Yuwei;  Tang, Shuai;  Lai, Huanling;  Jin, Ruyi;  Long, Xu   |  收藏  |  浏览/下载：66/0  |  提交时间：2020/12/24 IDH1  gliomas  molecular docking  virtual screening  docking-based virtual screening   Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase 期刊论文  OAI收割 FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 15, 页码: 1889-1906 作者:  Li, Yaping;  Wu, Dong-mei;  Kong, Ling-mei;  Zhang, Shuqun;  Du, Haibo   |  收藏  |  浏览/下载：29/0  |  提交时间：2020/03/26 bioassay  ensemble docking  scoring function  virtual screening  Wee1 inhibitors   Discovery of Novel PRMT5 Inhibitors by Virtual Screening and Biological Evaluations 期刊论文  OAI收割 CHEMICAL & PHARMACEUTICAL BULLETIN, 2019, 卷号: 67, 期号: 4, 页码: 382-388 作者:  Tao, Hongrui;  Yan, Xue;  Zhu, Kongkai;  Zhang, Hua   |  收藏  |  浏览/下载：19/0  |  提交时间：2020/07/01 virtual screening  epigenetic inhibitor  antiproliferation  molecular docking