中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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浏览/检索结果: 共30条,第1-10条 帮助

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Discovery of a new inhibitor targeting PD-L1 for cancer immunotherapy 期刊论文  OAI收割
NEOPLASIA, 2021, 卷号: 23, 期号: 3, 页码: 281-293
作者:  
Wang, Fengling;  Ye, Wenling;  Wang, Shuang;  He, Yongxing;  Zhong, Haiyang
  |  收藏  |  浏览/下载:30/0  |  提交时间:2021/12/10
A new two-dimensional semiconducting carbon allotrope with direct band gap: a first-principles prediction 期刊论文  OAI收割
JOURNAL OF PHYSICS-CONDENSED MATTER, 2021, 卷号: 33, 期号: 4, 页码: 10
作者:  
Yang, Xing;  Wang, Yuwei;  Xiao, Ruining;  Liu, Huanxiang;  Bing, Zhitong
  |  收藏  |  浏览/下载:38/0  |  提交时间:2021/12/13
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:  
An, Xiaoli;  Bai, Qifeng;  Bing, Zhitong;  Liu, Huanxiang;  Yao, Xiaojun
  |  收藏  |  浏览/下载:16/0  |  提交时间:2021/12/08
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
  |  收藏  |  浏览/下载:16/0  |  提交时间:2022/01/18
Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship 期刊论文  OAI收割
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 15
作者:  
Shi, Danfeng;  An, Xiaoli;  Bai, Qifeng
  |  收藏  |  浏览/下载:7/0  |  提交时间:2022/01/19
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
  |  收藏  |  浏览/下载:57/0  |  提交时间:2019/11/10
A new nonfullerene acceptor based on perylene diimides for organic solar cells 期刊论文  OAI收割
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2018, 卷号: 29, 期号: 12, 页码: 10362-10368
作者:  
Liu, Zhitian;  Wu, Yao;  Jiang, Huanxiang;  Zhang, Linhua;  Zeng, Di
  |  收藏  |  浏览/下载:43/0  |  提交时间:2018/12/21
Pyran-Bridged Indacenodithiophene as a Building Block for Constructing Efficient A-D-A-Type Nonfullerene Acceptors for Polymer Solar Cells 期刊论文  OAI收割
CHEMSUSCHEM, 2018, 卷号: 11, 期号: 2, 页码: 360-366
作者:  
Wen, Shuguang;  Wu, Yao;  Wang, Yingying;  Li, Yi;  Liu, Ling
  |  收藏  |  浏览/下载:33/0  |  提交时间:2018/09/06
Pyran-bridged indacenodithiophene: A novel building block for constructing efficient A-D-A type nonfullerene acceptor for polymer solar cells 期刊论文  OAI收割
Chemsuschem, 2017, 卷号: accepted, 页码: 10.1002/cssc.201701917
作者:  
Wen, Shuguang;  Wu, Yao;  Wang, Yingying;  Li, Yi;  Liu, Ling
  |  收藏  |  浏览/下载:12/0  |  提交时间:2018/01/04
Understanding the structure-determining solid fluorescence of an azaacene derivative 期刊论文  OAI收割
JOURNAL OF MATERIALS CHEMISTRY C, 2017, 卷号: 5, 期号: 34, 页码: 8869-8874
作者:  
Gu, Pei-Yang
  |  收藏  |  浏览/下载:14/0  |  提交时间:2018/05/25