In silico molecular homology modeling

In Silico Molecular Homology Modeling of Neurotransmitter Receptors... 

In silico molecular homology modeling of neurotransmitter receptors... 

The aim of the present chapter is to describe a recent in silico method. It is fast, easy and computationally inexpensive, and able to predict human cytochrome regioselective metabolism using ad hoc developed 3D homology models for the enzymes and the 3D structure of the potential substrates. The method uses GRID flexible molecular interaction fields as well as the 3D structure of the potential substrates, automatically providing the site of metabolism (i.e. the place where the metabolic reactions occur) in graphical output. 

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