Eventually computational methods (like AlphaFold) should provide reliable 
information on the spectrum of metastable conformational substates that a 
protein can adopt, i.e. its dynamics. This information will be valuable to 
answer the question of a protein's function, and also of its crystallization - 
and if it is only: difficult!

Best,
Hans

-----Original Message-----
From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Bryan Lepore
Sent: Freitag, 11. Dezember 2020 15:03
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] External: Re: [ccp4bb] AlphaFold: more thinking and less 
pipetting (?)

> On Dec 11, 2020, at 07:42, Phil Evans <p...@mrc-lmb.cam.ac.uk> wrote:
> 
> But I’ve always thought the more interesting question is “this is the 
> structure, what does it do?”

It sounds compelling though, that methods of the sort implemented in the CASP 
work are perfectly poised to make progress on the question:

“how might this protein crystallize?”

-Bryan W. Lepore
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