just curious, was: protein / predicting 3D-structure

Arne Elofsson arne at elof.biokemi.su.se
Sun Oct 5 09:39:01 EST 1997


tpwalsh at acer.gen.tcd.ie (Tom Walsh) writes:

> >
> >What you cannot do (nor can anyone else) is predict the fine atomic
> >structural differences.  The only people that need concern themselves
> >with homology modelling methods are the ones trying to make
> >them work or who are just plain curious about them.  Homology 
> >modelling is currently a toy, not a tool, along with all other ab 
> >initio tertiary structure prediction methods.
> >
> >Scott Le Grand
> 
>  I wouldn't dismiss homology modelling as a toy but its usefulness as a tool
> depends on what you use it for. It's nowhere near predicting atomic positions
> with the same accuracy as Xtallography or NMR so it's useless for structure-
> aided drug design, no matter how high the homology is. I think homology models
> can be useful for protein engineers who need a guide for doing mutations, but
> only if it's done carefully with a proper respect for its limitations. There
> are a lot of models being published by people who can only be described as
> amateurs; they've read the tutorials in the Biosym Homology manual and think
> they know what they're doing.
> 

Well, That is surely true for crystal structures, but for NMR
structures I am not sure. Read Abagyans recent JMB paper
(jmb,268:678-685) 


arne
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 Arne Elofsson     arne at bimbo.biokemi.su.se http://www.biokemi.su.se/~arne/
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