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机构
武汉物理与数学研究... [16]
大连化学物理研究所 [1]
武汉植物园 [1]
合肥物质科学研究院 [1]
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OAI收割 [19]
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期刊论文 [19]
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2021 [1]
2019 [6]
2018 [2]
2017 [6]
2015 [3]
2006 [1]
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Discovery of a Novel Androgen Receptor Antagonist Manifesting Evidence to Disrupt the Dimerization of the Ligand-Binding Domain via Attenuating the Hydrogen-Bonding Network Between the Two Monomers
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64
作者:
Fu, Weitao
;
Zhang, Minkui
;
Liao, Jianing
;
Tang, Qing
;
Lei, Yixuan
  |  
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2022/03/21
Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays
期刊论文
OAI收割
GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 16, 期号: 6, 页码: 416-427
作者:
Hou, Tingjun
;
Li, Dan
;
Chang, Shan
;
Xu, Lei
;
Sun, Huiyong
  |  
收藏
  |  
浏览/下载:275/0
  |  
提交时间:2019/06/24
Androgen receptor
AR ligand
Virtual screening
AR agonist
AR antagonist
Approximating dynamic proximity with a hybrid geometry energy-based kernel for diffusion maps
期刊论文
OAI收割
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 11
作者:
Tan, Qingzhe
;
Duan, Mojie
;
Li, Minghai
;
Han, Li
;
Huo, Shuanghong
  |  
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2020/01/14
The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 14, 页码: 13
作者:
Guo, Yue
;
Duan, Mojie
;
Yang, Minghui
  |  
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2019/10/14
fatty acid binding protein
invisible intermediate states
transition time
binding mechanism
molecular dynamics simulation
All-atom structure ensembles of islet amyloid polypeptides determined by enhanced sampling and experiment data restraints
期刊论文
OAI收割
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2019, 卷号: 87, 期号: 7, 页码: 541-550
作者:
Su, Xinyue
;
Wang, Ke
;
Liu, Na
;
Chen, Jiawen
;
Li, Yong
  |  
收藏
  |  
浏览/下载:82/0
  |  
提交时间:2019/10/14
aggregation
chemical shift restraint
islet amylod polypeptide
metadynamics
All-atom structure ensembles of islet amyloid polypeptides determined by enhanced sampling and experiment data restraints
期刊论文
OAI收割
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2019, 卷号: 87, 期号: 7, 页码: 541-550
作者:
Su, Xinyue
;
Wang, Ke
;
Liu, Na
;
Chen, Jiawen
;
Li, Yong
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/10/17
aggregation
chemical shift restraint
islet amylod polypeptide
metadynamics
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 2, 页码: 842-857
作者:
Hou, Tingjun
;
Li, Youyong
;
Yu, Huidong
;
Li, Dan
;
Liu, Hui
  |  
收藏
  |  
浏览/下载:79/0
  |  
提交时间:2019/06/24
Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2018, 卷号: 58, 期号: 8, 页码: 1652-1661
作者:
Liu, Na
;
Zhou, Wenfang
;
Guo, Yue
;
Wang, Junmei
;
Fu, Weitao
  |  
收藏
  |  
浏览/下载:76/0
  |  
提交时间:2018/11/05
discoveryofnovelandrogenreceptorligandsbystructurebasedvirtualscreeningandbioassays
期刊论文
OAI收割
genomicsproteomicsbioinformatics, 2018, 卷号: 16, 期号: 6, 页码: 416
作者:
Zhou Wenfang
;
Duan Mojie
;
Fu Weitao
;
Pang Jinping
;
Tang Qin
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/01/14
Structural Properties of Human IAPP Dimer in Membrane Environment Studied by All-Atom Molecular Dynamics Simulations
期刊论文
OAI收割
SCIENTIFIC REPORTS, 2017, 卷号: 7
作者:
Liu, Na
;
Yang, Minghui
;
Duan, Mojie
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2017/12/06