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浏览/检索结果: 共4条，第1-4条 帮助 限定条件 发表日期：2020     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   Capturing the dynamic profiles of products in Hailaer brown coal pyrolysis with reactive molecular simulations and experiments 期刊论文 FUEL, 2020, 卷号: 268, 页码: 12 作者:  Zheng, Mo;  Pan, Yang;  Wang, Ze;  Li, Xiaoxia;  Guo, Li 收藏  |  浏览/下载：4/0  |  提交时间：2020/05/21 Coal pyrolysis  SVUV-PIMS  ReaxFF MD simulation  Py-GC/MS  Reaction pathways   Molecular dynamics simulation revealed the intrinsic conformational change of cellular inhibitor of apoptosis protein-1 期刊论文 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 卷号: 38, 期号: 4, 页码: 975-984 作者:  Xu, Heng;  Tang, Zhengkuan;  Zuo, Yu;  Xiong, Fengmin;  Chen, Kaixian 收藏  |  浏览/下载：41/0  |  提交时间：2020/07/01 cIAP1  dimerization  conformational change  MD simulation   Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations 期刊论文 ACS CHEMICAL NEUROSCIENCE, 2020, 卷号: 11, 期号: 4, 页码: 628-637 作者:  An, Xiaoli;  Bai, Qifeng;  Bing, Zhitong;  Liu, Hongli;  Zhang, Qianqian 收藏  |  浏览/下载：22/0  |  提交时间：2022/01/18 CC chemokine receptor 2  orthosteric antagonist  allosteric antagonist  binding cooperativity  metadynamics simulation  Gaussian accelerated MD simulation