We discuss a general method for protein design based on an analysis in sequence space of the Boltzmann weight for a given target structure. An efficient Monte Carlo code that explores sequence space (and, for each sequence, the space of compact and noncompact conformations) is implemented and tested in two models in two dimensions which are amenable to an exact solution-the design procedure is always successful.
Optimal protein design procedure
SENO, FLAVIO;MARITAN, AMOS;
1996
Abstract
We discuss a general method for protein design based on an analysis in sequence space of the Boltzmann weight for a given target structure. An efficient Monte Carlo code that explores sequence space (and, for each sequence, the space of compact and noncompact conformations) is implemented and tested in two models in two dimensions which are amenable to an exact solution-the design procedure is always successful.
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