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2000
Volume 2, Issue 4
  • ISSN: 1570-1808
  • E-ISSN: 1875-628X

Abstract

Ab initio molecular orbital calculations are employed to elucidate structural and electronic characteristics of a series of eicosanoids, which have been used to examine the specificity of a 14,15-DHET ELISA. The results of the calculations show that activity is correlated to two combined factors: molecular volume and energy of the HOMO.

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/content/journals/lddd/10.2174/1570180054038431
2005-06-01
2025-06-11
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/content/journals/lddd/10.2174/1570180054038431
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  • Article Type:
    Review Article
Keyword(s): ab initio; arachidonic acid; binding affinity; molecular volume
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