Theoretical investigation of the origins of catalysis of a retro-diels-alder reaction by anitbody 10F11

Authors :: Leach, Andrew G.
Houk, K.N.
Reymond, Jean-Louis
Torroba, Tomas
Fulop, Ferene
Source :: Journal of Organic Chemistry. May 28, 2004, Vol. 69 Issue 11, p3683, 10 p.
Publication Year :: 2004
Abstract: Quantum mechanical methods are used to study the reactions caused by catalyzing the antibody 10F11 substrate. Functional theory and empirical docking methods are employed to investigate the substrate and transition state binding to the active site of the antibody.

Subjects :: Fluorine -- Research
Fluorine -- Mechanical properties
Density functionals -- Usage
Quantum theory -- Usage
Chemistry, Organic -- Research
Biological sciences
Chemistry

Tools