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浏览/检索结果: 共3条，第1-3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 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   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 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：49/0  |  提交时间：2020/07/01 Lung-toxin Dispelling Formula No. 1  COVID-19  3C-like protease  Network pharmacology  Molecular docking  Meridian tropism   SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations 期刊论文 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020, 卷号: 34, 期号: 5, 页码: 589-600 作者:  Sun, Zhaoxi;  He, Qiaole;  Li, Xiao;  Zhu, Zhengdan 收藏  |  浏览/下载：28/0  |  提交时间：2020/07/01 Free energy calculation  Binding pose  Binding affinity  Spherical coordinates  SAMPL6