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浏览/检索结果: 共25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 Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t (ROR gamma t) modulators: insights into different protein behaviors with "short" and "long" inverse agonists 期刊论文 ACTA PHARMACOLOGICA SINICA, 2020, 页码: 11 作者:  Yu, Ming-cheng;  Yang, Feng;  Ding, Xiao-yu;  Sun, Nan-nan;  Jiang, Zheng-yuan 收藏  |  浏览/下载：85/0  |  提交时间：2020/12/24 RORγ  t  cocrystal structures  MD simulation  “  short”  inverse agonists  agonists  “  long”  inverse agonists   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   Structural basis for activation of the growth hormone-releasing hormone receptor 期刊论文 NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: 10 作者:  Zhou, Fulai;  Zhang, Huibing;  Cong, Zhaotong;  Zhao, Li-Hua;  Zhou, Qingtong 收藏  |  浏览/下载：23/0  |  提交时间：2020/12/21 Discovery of an Inhibitor for the TREK-1 Channel Targeting an Intermediate Transition State of Channel Gating 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 19, 页码: 10972-10983 作者:  Ma, Yuqin;  Luo, Qichao;  Fu, Jie;  Che, Yanxin;  Guo, Fei 收藏  |  浏览/下载：11/0  |  提交时间：2021/05/24 Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 37, 页码: 21238-21250 作者:  Chen, Jianzhong;  Wang, Wei;  Pang, Laixue;  Zhu, Weiliang 收藏  |  浏览/下载：27/0  |  提交时间：2020/12/21 Cryo-electron microscopy structure of the glucagon receptor with a dual-agonist peptide 期刊论文 JOURNAL OF BIOLOGICAL CHEMISTRY, 2020, 卷号: 295, 期号: 28, 页码: 9313-9325 作者:  Chang, Rulue;  Zhang, Xin;  Qiao, Anna;  Dai, Antao;  Belousoff, Matthew J. 收藏  |  浏览/下载：85/0  |  提交时间：2020/12/24 glucagon receptor  glucagon-like peptide-1 receptor  dual agonist  cryo-electron microscopy  single particle analysis  structure-function  structural biology  peptide 15 (P15)  metabolic disorder  G protein?coupled receptor (GPCR)  glucagon  GLP-1 receptor   Mechanochemical Activation of Class-B G-Protein-Coupled Receptor upon Peptide-Ligand Binding 期刊论文 NANO LETTERS, 2020, 卷号: 20, 期号: 7, 页码: 5575-5582 作者:  Lo Giudice, Cristina;  Zhang, Haonan;  Wu, Beili;  Alsteens, David 收藏  |  浏览/下载：18/0  |  提交时间：2020/12/24 Atomic force microscopy  single-molecule force spectroscopy  human glucagon receptor  G-protein-coupled receptors  mechanotransduction   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 Molecular dynamics simulations reveal the mechanism of the interactions between the inhibitors and SIRT2 at atom level 期刊论文 MOLECULAR SIMULATION, 2020, 卷号: 46, 期号: 8, 页码: 638-649 作者:  Wang, Xiaoyu;  Song, Menghua;  Zhao, Shuang;  Li, Huiyu;  Zhao, Qingjie 收藏  |  浏览/下载：35/0  |  提交时间：2020/07/01 SIRT2  inhibitor  molecular dynamics simulation  TCMs  hydrophobic and pi-pi interactions   Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion 期刊论文 ADVANCED SCIENCE, 2020, 页码: 13 作者:  Sun, Zhongya;  Zhang, Hao;  Zhang, Yuanyuan;  Liao, Liping;  Zhou, Wen 收藏  |  浏览/下载：107/0  |  提交时间：2020/07/01 anti-metastasis activities  crystal structures  inhibitors  novel pockets  rho family proteins