In Silico Modeling of the Molecular Structure and Binding of Leukotriene A4 into Leukotriene A4 Hydrolase
Version of Record online: 5 OCT 2012
© 2012 John Wiley & Sons A/S
Chemical Biology & Drug Design
Volume 80, Issue 6, pages 902–908, December 2012
How to Cite
Paz, P. B., Vega-Hissi, E. G., Estrada, M. R. and Garro Martinez, J. C. (2012), In Silico Modeling of the Molecular Structure and Binding of Leukotriene A4 into Leukotriene A4 Hydrolase. Chemical Biology & Drug Design, 80: 902–908. doi: 10.1111/cbdd.12037
- Issue online: 25 OCT 2012
- Version of Record online: 5 OCT 2012
- Accepted manuscript online: 22 AUG 2012 10:45AM EST
- Received 3 April 2012, revised 12 July 2012 and accepted for publication 17 August 2012
Figure S1. Potential energy surfaces: (A) E = f(ϕ3,ϕ4) hydrophobic tail, (B) E = f(ϕ6,ϕ7) triene motif, (C) E = f(ϕ10,ϕ11) polar group.
Figure S2. Stable conformers for LTA4 at B3LYP/6-31+G(d) levels of theory.
|CBDD_12037_sm_FigS1-S2.doc||345K||Supporting info item|
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