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浏览/检索结果: 共6条，第1-6条 帮助 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 Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations 期刊论文 COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2021, 卷号: 19, 页码: 3978-3989 作者:  An, Xiaoli;  Bai, Qifeng;  Bing, Zhitong;  Liu, Huanxiang;  Yao, Xiaojun 收藏  |  浏览/下载：12/0  |  提交时间：2021/12/08 hGPR40  Positive binding cooperativity  Partial agonist  AgoPAM  Gaussian accelerated molecular dynamics 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：21/0  |  提交时间：2022/01/18 CC chemokine receptor 2  orthosteric antagonist  allosteric antagonist  binding cooperativity  metadynamics simulation  Gaussian accelerated MD simulation   Theoretical study of the formation mechanism of sulfur-containing gases in the CO2 gasification of lignite 期刊论文 FUEL, 2019, 卷号: 242, 页码: 398-407 作者:  Tian, Yan;  Chen, Shi-Yun;  Ding, Jun-Xia;  Li, Guang-Yue;  Wang, Jie-Ping 收藏  |  浏览/下载：51/0  |  提交时间：2019/06/20 Gasification  Lignite  Mechanism  Sulfur  ReaxFF   Theoretical study of the formation mechanism of sulfur-containing gases in the co2 gasification of lignite 期刊论文 Fuel, 2019, 卷号: 242, 页码: 398-407 作者:  Chen, Shi-Yun;  Ding, Jun-Xia;  Li, Guang-Yue;  Wang, Jie-Ping;  Tian, Yan 收藏  |  浏览/下载：97/0  |  提交时间：2019/05/08 Gasification  Lignite  Mechanism  Sulfur  Reaxff   How Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of the kappa-Opioid Receptor: Insight from Long-Time Gaussian Accelerated Molecular Dynamics Simulation 期刊论文 ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 3, 页码: 1575-1584 作者:  An, Xiaoli;  Bai, Qifeng;  Bing, Zhitong;  Zhou, Shuangyan;  Shi, Danfeng 收藏  |  浏览/下载：57/0  |  提交时间：2019/11/10 kappa-opioid receptor  Gaussian accelerated molecular dynamics simulation  agonist  antagonist  conformational change   Effective Conformational Sampling in Explicit Solvent with Gaussian Biased Accelerated Molecular Dynamics 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 9, 页码: 4240-4252 作者:  Shao, Qiang;  Zhu, Weiliang 收藏  |  浏览/下载：6/0  |  提交时间：2019/01/08