Numerical comparisons of three recently proposed algorithms in the protein folding problem

نویسندگان

  • Ulrich H. E. Hansmann
  • Yuko Okamoto
چکیده

We compare numerically the effectiveness of three recently proposed algorithms, multicanonical simulations, simulations in a 1/k-ensemble, and simulated tempering, for the protein folding problem. For this we perform simulations with high statistics for one of the simplest peptides, Met-enkephalin. While the performances of all three approaches is much better than traditional methods, we find that the differences among the three are only marginal.

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عنوان ژورنال:
  • Journal of Computational Chemistry

دوره 18  شماره 

صفحات  -

تاریخ انتشار 1997