I-G-2 Numerical Comparisons of Three Recently Proposed Algorithms in the Protein Folding Problem

Ulrich H.E. HANSMANN and Yuko OKAMOTO

[J. Comp. Chem. 18, 920 (1997)]

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.

back to CONTENTS of Research Activities I