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上海药物研究所 [6]
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期刊论文 [14]
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Binding interface and impact on protease cleavage for an RNA aptamer to HIV-1 reverse transcriptase
期刊论文
NUCLEIC ACIDS RESEARCH, 2020, 卷号: 48, 期号: 5, 页码: 2709-2722
作者:
Nguyen, Phuong D. M.
;
Zheng, Jie
;
Gremminger, Thomas J.
;
Qiu, Liming
;
Zhang, Dong
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2020/07/01
Understanding the microscopic binding mechanism of hydroxylated and sulfated polybrominated diphenyl ethers with transthyretin by molecular docking, molecular dynamics simulations and binding free energy calculations
期刊论文
MOLECULAR BIOSYSTEMS, 2017, 卷号: 13, 期号: 4, 页码: 736-749
作者:
Cao, Huiming
;
Sun, Yuzhen
;
Wang, Ling
;
Zhao, Chunyan
;
Fua, Jianjie
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2018/07/26
Binding Modes of Three Inhibitors 8CA, F8A and I4A to A-FABP Studied Based on Molecular Dynamics Simulation
期刊论文
PLOS ONE, 2014, 卷号: 9, 期号: 6
作者:
Chen, Jianzhong
;
Wang, Jinan
;
Zhu, Weiliang
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  |  
浏览/下载:13/0
  |  
提交时间:2019/01/08
The Conserved Lys-95 Charged Residue Cluster Is Critical for the Homodimerization and Enzyme Activity of Human Ribonucleotide Reductase Small Subunit M2
期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2014, 卷号: 289, 期号: 2, 页码: 909-920
作者:
Chen, Xinhuan
;
Xu, Zhijian
;
Zhang, Lingna
;
Liu, Hongchuan
;
Liu, Xia
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  |  
浏览/下载:27/0
  |  
提交时间:2019/01/08
Binding sensitivity of adefovir to the polymerase from different genotypes of HBV: molecular modeling, docking and dynamics simulation studies
期刊论文
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 2, 页码: 319-328
作者:
Li, Jing
;
Du, Yun
;
Liu, Xian
;
Shen, Qian-cheng
;
Huang, Ai-long
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  |  
浏览/下载:25/0
  |  
提交时间:2019/01/08
hepatitis
HBV
polymerase
genotype
adefovir
molecular dynamics simulation
free energy calculation
The molecular basis of IGF-II/IGF2R recognition: a combined molecular dynamics simulation, free-energy calculation and computational alanine scanning study
期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 4, 页码: 1421-1430
作者:
Guo, JJ
;
Wang, XT
;
Sun, HJ
;
Liu, HX
;
Yao, XJ
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/12/22
IGF-II/IGF2R interaction
Protein-protein interaction
Molecular dynamics simulation
Molecular mechanics generalized born surface area (MM-GBSA)
Computational alanine scanning
A computational analysis of interaction mechanisms of peptide and non-peptide inhibitors with MDMX based on molecular dynamics simulation
期刊论文
computational and theoretical chemistry, 2012, 卷号: 984, 页码: 43-50
作者:
Cheng, Wei-yuan
;
Chen, Jian-zhong
;
Liang, Zhi-qiang
;
Li, Guo-hui
;
Yi, Chang-hong
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2013/10/11
MD simulation
Computational alanine scanning
MM-GBSA method
p53-MDMX interaction
Cross correlation analysis
Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulations
期刊论文
international journal of molecular sciences, 2012, 卷号: 13, 期号: 2, 页码: 2176-2195
作者:
Chen, Jianzhong
;
Zhang, Dinglin
;
Zhang, Yuxin
;
Li, Guohui
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2015/11/13
p53-MDM2/MDMX interaction
molecular dynamics simulation
binding free energy
alanine scanning
APIS: accurate prediction of hot spots in protein interfaces by combining protrusion index with solvent accessibility
期刊论文
BMC Bioinformatics, 2010, 卷号: 11, 期号: 1, 页码: 1-14
作者:
Xia,Jun-Feng
;
Zhao,Xing-Ming
;
Song,Jiangning
;
Huang,De-Shuang
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/02/27
Relaxing the coenzyme specificity of 1,3-propanediol oxidoreductase from Klebsiella pneumoniae by rational design
期刊论文
JOURNAL OF BIOTECHNOLOGY, 2010, 卷号: 146, 页码: 173-178
作者:
Ma, Chengwei
;
Zhang, Le
;
Dai, Jianying
;
Xiu, Zhilong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/24
1,3-Propanediol oxidoreductase
Coenzyme specificity
Rational protein design
Computational alanine-scanning mutagenesis
Site-directed mutagenesis
Klebsiella pneumoniae
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