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Numerical comparisons of three recently proposed algorithms in the protein folding problem
Author(s) -
Hansmann Ulrich H. E.,
Okamoto Yuko
Publication year - 1997
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/(sici)1096-987x(199705)18:7<920::aid-jcc5>3.0.co;2-t
Subject(s) - algorithm , computer science , folding (dsp implementation) , sampling (signal processing) , protein folding , parallel tempering , artificial intelligence , chemistry , bayesian probability , engineering , biochemistry , filter (signal processing) , computer vision , markov chain monte carlo , monte carlo molecular modeling , electrical engineering
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