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  • 标题:Reactivity of the HIV-1 nucleocapsid protein p7 zinc finger domains from the perspective of density-functional theory
  • 本地全文:下载
  • 作者:A. T. Maynard ; M. Huang ; W. G. Rice
  • 期刊名称:Proceedings of the National Academy of Sciences
  • 印刷版ISSN:0027-8424
  • 电子版ISSN:1091-6490
  • 出版年度:1998
  • 卷号:95
  • 期号:20
  • 页码:11578-11583
  • DOI:10.1073/pnas.95.20.11578
  • 语种:English
  • 出版社:The National Academy of Sciences of the United States of America
  • 摘要:The reaction of the human immunodeficiency virus type 1 (HIV-1) nucleocapsid protein p7 (NCp7) with a variety of electrophilic agents was investigated by experimental measurements of Trp37 fluorescence decay and compared with theoretical measures of reactivity based on density-functional theory in the context of the hard and soft acids and bases principle. Statistically significant correlations were found between rates of reaction and the ability of these agents to function as soft electrophiles. Notably, the molecular property that correlated strongest was the ratio of electronegativity to hardness, {chi}2/{eta
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