Best,
Xavier
Forwarded Message
Subject:Re: [ccp4bb] Validation of structure prediction
Date: Tue, 21 Dec 2021 09:43:37 +
From: Vollmar, Melanie (DLSLtd,RAL,LSCI)
<64fe7ccc6b4d-dmarc-requ...@jiscmail.ac.uk><mailto:64fe7ccc6b4d-dmarc-requ...@jiscmail.ac.uk>
Tristan is spot on. All the predicted structures have near perfect geometry, so
commonly used validation tools like MolProbity can no longer be applied.
What you need to consider is biological relevance of the predicted model. Does
the model correctly reflect residue arrangement in the active si
I don't have a list to add here, as my review on the topic awaits feedback on
the corrections (self-advertisement 😇) but perhaps we should consider that
machine learning and AI are two different beasts. Admittingly, I don't always
make a proper distinction either.
Surely, many of us get their h
