Re: [ccp4bb]: Analyze binding pocket hydrophobicity

[Jens Thomas Kaiser <kaiser@caltech.edu>]

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hi sam,

the best program to do this kind of calculation in my opinion is GRID,
available from moldiscovery (i think it's just www.moldiscovery.com) free of
charge for academics.
it's no source code and you have to register and wait for a license key to be
delivered to you, but it does a great job.

jens

Sam Perez-Miller wrote:
> 
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> We have a ligand that binds to the surface of our enzyme at two sites.
> As the ligand exists in both charged and uncharged states, we
> would like to analyze the relative hydrophobicities of the two binding
> sites.  Does anyone know of programs that we could use to do this, or
> something very similar?
> Thanks
> Sam Perez-Miller
> IUSOM