A new approach to the design of stable proteins.

  title={A new approach to the design of stable proteins.},
  author={Eugene I. Shakhnovich and Alexander M. Gutin},
  journal={Protein engineering},
  volume={6 8},
We propose a simple algorithm to design a sequence which fits a given protein structure with a given energy. The algorithm is a modification of the Metropolis Monte Carlo scheme in sequence space with an evolutionary temperature which sets the energy scale. There is a one to one correspondence between this optimization scheme and the Ising model of ferromagnetism. This analogy implies that the design algorithm does not encounter multiple-minima problems and is very fast. The algorithm is tested… CONTINUE READING