Protein Engineering, Vol 11, 749-752, Copyright © 1998 by Oxford University Press
TL Chiu and RA Goldstein
Inverse protein folding, which seeks to identify sequences that fold into a
given structure, has been approached by threading candidate sequences onto
the structure and scoring them with database-derived potentials. The
sequences with the lowest energies are predicted to fold into that
structure. It has been argued that the limited success of this type of
approach is not due to the discrepancy between the scoring potential and
the true potential but is rather due to the fact that sequences choose
their lowest-energy structure rather than structures choosing the
lowest-energy sequences. Here we develop a non- physical potential scheme
optimized for the inverse folding problem. We maximize the average
probability of success for a set of lattice proteins to obtain the optimal
potential energy function, and show that the potential obtained by our
method is more likely to produce successful predictions than the true
potential.
ARTICLES
Optimizing potentials for the inverse protein folding problem
Department of Chemistry, University of Michigan, Ann Arbor 48109-1055, USA.
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