Computational characterization of a series of eicosanoids
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
Gracon, A. S. A., Pernecky, S. J., Milletti, M. C., Park, J. A., Yuan, Y., & Kim, H. (2005). Computational characterization of a series of eicosanoids. Letters in Drug Design & Discovery, 2(4), 322–328. doi:10.2174/1570180054038431