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

We numerically compare the effectiveness of three recently proposed algorithms, multicanonical algorithm, simulations in a 1/k‐sampling, and simulated tempering, for the protein folding problem. 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. © 1997 by John Wiley & Sons, Inc. J Comput Chem 18: 920–933, 1997