Dear list,
Is there a way that for a binding site (defined as the protein surface
atoms N Angstroms around a ligand molecule) we can assign a (preferably
normalized) hydrophobicity score to the binding site?
- I would prefer something that I can run offline rather than
a webserver (but a webserver would be better than nothing).
- it should be a published, sound method
The use-case is that I would like to rank some binding sites
in terms of hydrophobicity. Like in "binding site A is more hydrophobic
than binding site B" (with the required score backing the claim).
Thanks a lot,
Francois.
