In article <2m36up$jpg at charm.magnus.acs.ohio-state.edu>, bburkhar at magnus.acs.ohio-state.edu (Brian M Burkhart) writes:
|>|> I am interested in trying to align tertiary structures of proteins with related
|> function but different tertiary structure based on electrostatic "maps".
|> Anyone have any info on if this has been tried before or how I might proceed.
|>|> regards
|> Brian Burkhart
separate both molecules and calculate an "electron density map"
which is in reality an electrostatic potential map
then do a rotational/translational search to optimise
the correlation coefficient between the "density" around
molecule 1 and that around molecule 2
perhaps you could even use molecular replacement ?
--Gerard
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Gerard J. Kleywegt ___
Department of Molecular Biology | | /\
Biomedical Centre /\ -- ||
Uppsala University || || ||
Box 590, S-751 24 || || ||
Uppsala, SWEDEN || \/ --
-- |__|
E-mail: gerard at xray.bmc.uu.se
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