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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
近代物理研究所 [3]
大连化学物理研究所 [2]
上海药物研究所 [1]
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OAI收割 [5]
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内容类型
期刊论文 [6]
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2021 [1]
2020 [1]
2019 [3]
2017 [1]
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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
OAI收割
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2021, 卷号: 19, 页码: 3978-3989
作者:
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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
OAI收割
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
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Theoretical study of the formation mechanism of sulfur-containing gases in the CO2 gasification of lignite
期刊论文
OAI收割
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
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Theoretical study of the formation mechanism of sulfur-containing gases in the co2 gasification of lignite
期刊论文
iSwitch采集
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
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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
OAI收割
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
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Effective Conformational Sampling in Explicit Solvent with Gaussian Biased Accelerated Molecular Dynamics
期刊论文
OAI收割
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 9, 页码: 4240-4252
作者:
Shao, Qiang
;
Zhu, Weiliang
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