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How to model transition metal binding?

molecular modeling chemistry medicinal chemistry

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#1 asta6801



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Posted 29 January 2013 - 03:14 PM

Hi there,

I have very limited chemistry experience and am hoping someone can help. Our group work with a series of thiosemicarbazones, and are trying to model whether or not iron or copper will bind to different molecules in the series. Does anyone know how to do this? I'm using ChemBioDraw Ultra 12 at the moment to create the 3D structures, but not sure where to go from there.


Helpless Grad Student

Also tagged with one or more of these keywords: molecular modeling, chemistry, medicinal chemistry

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