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化学研究所 [17]
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期刊论文 [30]
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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
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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
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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:
An, Xiaoli
;
Bai, Qifeng
;
Bing, Zhitong
;
Liu, Huanxiang
;
Yao, Xiaojun
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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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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
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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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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
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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
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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
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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
;
Zhao, Jun
;
Aratani, Naoki
;
Ye, Xin
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