Subject: point mutants modeling

From: Martín Lema <mlema*at*unq.edu.ar>
Date: Mon, 03 May 2004 10:31:42 -0300

Dear CCLs:

Please suppose I have the experimental structure of a protein, and I want 
to use it for obtaining in silico the putative structure of single point 
mutants (performing a residue substitution, a sidechain replacement). By 
analyzing different articles I have found either people using someone else 
4s algorithms, or that someone introducing his algorithm by using limited 
examples, but I cannot find an article that reviews many available methods 
for this purpose, neither one that performs a comparative assessment 
(again, for this specific purpose) or any article of this kind that could 
let me know to what extent this general problem (obtaining in silico the 
structure of simple point mutants from a WT structure) is solved.
Would you be so kind referring me articles of this kind?
Thanking in advance,
                                       Martin
P.S.: An assessment like the one stated above should be based in the 
comparison of experimentally obtained mutant protein structures with the 
modeled ones, and on that basis, now I am even wondering if the combined 
uncertainties derived from the current resolution scale in PDB structures 
for two structures (the experimental mutant and the modeled mutant that 
cannot be better than the WT from which it derives) is actually of lower 
scale than the structural changes introduced by most point mutations? (in 
that case that assessment is imposible)
ml

Martmn Lema
Universidad Nacional de Quilmes
Roque Saenz Peqa 180
B1876BXD - Bernal
Argentina