Is anybody interested in helping me set up a peptide 'fishing'
simulation using Xplor? My suggestion is to have Xplor generate a large
library of peptides by sequential replacement of sequential amino acids,
and then use the program, or some other methodology (DOCK?) to screen
the library against the known coordinates of an enzyme in order to
obtain - at the least - a profile of the peptides with higest affinty
for the target.
It sounds ambitious, but I'm sure that it could be done.
Department of Chemistry
Simon Fraser University
8888 University Drive