中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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化学研究所 [17]
近代物理研究所 [7]
青岛生物能源与过程研... [5]
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OAI收割 [30]
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期刊论文 [30]
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2021 [3]
2020 [1]
2019 [2]
2018 [2]
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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:43/0
  |  
提交时间:2021/12/10
PD-1
PD-L1
Inhibitor
APBC
Cancer immunotherapy
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:51/0
  |  
提交时间:2021/12/13
2D carbon allotrope
semiconductor
tunable band gap
mechanical properties
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:22/0
  |  
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
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:27/0
  |  
提交时间:2022/01/18
CC chemokine receptor 2
orthosteric antagonist
allosteric antagonist
binding cooperativity
metadynamics simulation
Gaussian accelerated MD simulation
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
;
Bing, Zhitong
;
Zhou, Shuangyan
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2022/01/19
PD-L1
small-molecule inhibitors
molecular dynamics simulation
metadynamics simulation
R-group QSAR
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:67/0
  |  
提交时间:2019/11/10
kappa-opioid receptor
Gaussian accelerated molecular dynamics simulation
agonist
antagonist
conformational change
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:56/0
  |  
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:44/0
  |  
提交时间:2018/09/06
Donor-acceptor Systems
Heterocycles
Polymers
Solar Cells
Structure-activity Relationships
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:18/0
  |  
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
;
Liu, Guangfeng
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2018/05/25