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Discovery of a new inhibitor targeting PD-L1 for cancer immunotherapy
期刊论文
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:35/0
  |  
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
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:37/0
  |  
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
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:13/0
  |  
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:25/0
  |  
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
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:27/0
  |  
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
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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  |  
浏览/下载:59/0
  |  
提交时间:2019/11/10
kappa-opioid receptor
Gaussian accelerated molecular dynamics simulation
agonist
antagonist
conformational change
血三七正丁醇部位促骨折愈合机制研究
期刊论文
Journal of Hubei University of Chinese Medicine, 2019, 期号: 03
作者:
姚琰
;
范亚
;
黄玉莹
;
刘环香
;
向梅先
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/05
血三七正丁醇部位
促骨折愈合
成骨细胞
碱性磷酸酶
前列腺素E2
A new nonfullerene acceptor based on perylene diimides for organic solar cells
期刊论文
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:50/0
  |  
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
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:35/0
  |  
提交时间:2018/09/06
Donor-acceptor Systems
Heterocycles
Polymers
Solar Cells
Structure-activity Relationships
Study on the Structural Optimization of Small and Medium-sized Towns Based on Cluster Economy
期刊论文
2018, 卷号: 21, 期号: 2
作者:
Liu, Huanxiang[1,2]
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/30
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