From zellmer@sodium.mps.ohio-state.edu  Thu Sep  9 06:24:56 1993
Date: Thu, 9 Sep 93 10:24:56 EDT
From: Bob Zellmer <zellmer@sodium.mps.ohio-state.edu>
Message-Id: <9309091424.AA02886@sodium.mps.ohio-state.edu>
To: chemistry@ccl.net, zellmer@sodium.mps.ohio-state.edu
Subject: Re: Global min. in protein folding



> From chemistry-request@ccl.net Thu Sep  9 05:53:15 1993
> To: CHEMISTRY@ccl.net
> Subject: Re: Global min. in protein folding 
> Date: Wed, 08 Sep 93 14:35:32 -0700
> From: avs@iris95.biosym.com
> Sender: chemistry-request@ccl.net
> Content-Length: 1404
> 
> 
> 
> >  Date: Wed, 8 Sep 93 13:12:56 GMT
> >  From: jpj@lotus.medicine.rochester.edu (Jeffrey P. Jones)
> >  Subject: Global min. in protein folding
> 
> >  
> >   While I am not a protein folding person I have conducted an informal poll
> >  of protein folding folks and found that the above generalization is true. 
> >  They all site the small proteins that refold as an example. If the protein 
> >  cannot be refolded it is an experimental problem since it doesn't agree
> >  with the theory. 
> >  
> 
> I too, am not a protein folding person, and neither am I an
> experimental chemist.  However...
> 
> IMHO, if the experimental data does not fit the theory, then the
> problem should be with the theory and not the experimental data.
> 
> I would think that *any* theory would at the least, try to explain the
> existing experimental results.
> 
> 
> 
> ****************************************************
> Ajay Shah, Ph.D.
> BIOSYM Technologies
> avs@biosym.com
> ******************************************************
> Have You Heard of the Symmetry Death of the Universe?
> ******************************************************

Why does one assume that the problem is with the theory or for that matter,
the experiment?  They are both tools to be used together.

This reasoning seems to go back to the time (even still today) when all
experimentalists (I see that Dr. Shah is not) just outright dismissed any
theoretical results whenever they didn't agree with their results.
There have been many cases in which theory has shown experiments to be
incorrect or has led the way for experimentation (just as there are many cases
in which theory is not correct or just gives a rough approximation to a
problem).  One needs to realize what level of theory is being considered and
how well it applies to the molecule under consideration.

If experiment and theory don't agree then both should be looked at.  One should
not just assume that the theory is incorrect and try to change it to conform
to some experimental results, which could also be incorrect.

Bob Zellmer
zellmer@sodium.mps.ohio-state.edu