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浏览/检索结果: 共16条，第1-10条 帮助 限定条件 发表日期：2020    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     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Discovery of Novel IDH1 Inhibitor Through Comparative Structure-Based Virtual Screening 期刊论文 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：49/0  |  提交时间：2020/12/24 IDH1  gliomas  molecular docking  virtual screening  docking-based virtual screening   Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs 期刊论文 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2020, 卷号: 117, 期号: 44, 页码: 27381-27387 作者:  Li, Zhe;  Li, Xin;  Huang, Yi-You;  Wu, Yaoxing;  Liu, Runduo 收藏  |  浏览/下载：75/0  |  提交时间：2020/12/24 virtual screening  SARS-CoV-2  drug repurposing  free energy perturbation  main protease   Machine-Learning-Guided Cocrystal Prediction Based on Large Data Base 期刊论文 CRYSTAL GROWTH & DESIGN, 2020, 卷号: 20, 期号: 10, 页码: 6610-6621 作者:  Wang, Dingyan;  Yang, Zeen;  Zhu, Bingqing;  Mei, Xuefeng;  Luo, Xiaomin 收藏  |  浏览/下载：12/0  |  提交时间：2020/12/24 D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19 期刊论文 ACTA PHARMACEUTICA SINICA B, 2020, 卷号: 10, 期号: 7, 页码: 1239-1248 作者:  Shi, Yulong;  Zhang, Xinben;  Mu, Kaijie;  Peng, Cheng;  Zhu, Zhengdan 收藏  |  浏览/下载：27/0  |  提交时间：2020/12/24 COVID-19  SARS-CoV-2  Target prediction  Multi-conformation  Multi-site  Docking  D3Targets-2019-nCoV   Discovery of triazoloquinoxaline as novel STING agonists via structure-based virtual screening 期刊论文 BIOORGANIC CHEMISTRY, 2020, 卷号: 100, 页码: 8 作者:  Hou, Hui;  Yang, Ruirui;  Liu, Xiaohong;  Wu, Xiaolong;  Zhang, Sulin 收藏  |  浏览/下载：2/0  |  提交时间：2020/12/24 In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing 期刊论文 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 6, 页码: 3265-3276 作者:  Zhao, Wenfeng;  Xiong, Muya;  Yuan, Xiaojing;  Li, Minjun;  Sun, Hongbin 收藏  |  浏览/下载：17/0  |  提交时间：2020/12/24 Interaction Nature and Computational Methods for Halogen Bonding: A Perspective 期刊论文 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 6, 页码: 2683-2696 作者:  Zhu, Zhengdan;  Xu, Zhijian;  Zhu, Weiliang 收藏  |  浏览/下载：25/0  |  提交时间：2020/12/24 Lead discovery, chemical optimization, and biological evaluation studies of novel histone methyltransferase SET7 small-molecule inhibitors 期刊论文 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2020, 卷号: 30, 期号: 9, 页码: 10 作者:  Hou, Zeng;  Min, Wenjian;  Zhang, Rukang;  Niu, Ao;  Li, Yuanqing 收藏  |  浏览/下载：42/0  |  提交时间：2020/07/01 Histone methylation  SET7  Small-molecule inhibitor  Virtual screening  Molecular probe   Structure of M-pro from SARS-CoV-2 and discovery of its inhibitors 期刊论文 NATURE, 2020, 页码: 24 作者:  Jin, Zhenming;  Du, Xiaoyu;  Xu, Yechun;  Deng, Yongqiang;  Liu, Meiqin 收藏  |  浏览/下载：40/0  |  提交时间：2020/07/01 Computational discovery and biological evaluation of novel inhibitors targeting histone-lysine N-methyltransferase SET7 期刊论文 BIOORGANIC & MEDICINAL CHEMISTRY, 2020, 卷号: 28, 期号: 7, 页码: 10 作者:  Min, Wenjian;  Hou, Zeng;  Zhang, Fang;  Xie, Shengnan;  Yuan, Kai 收藏  |  浏览/下载：49/0  |  提交时间：2020/07/01 Histone methylation  Lysine methyltransferase  SET7  Small-molecule inhibitor  Virtual screening