doi:10.2174/1570180054038431">
 

Title

Computational characterization of a series of eicosanoids

Document Type

Article

Publication Date

2005

Department/School

Chemistry

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.

Link to Published Version

doi:10.2174/1570180054038431