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The folding funnel landscape for the peptide met‐enkephalin
Author(s) -
Hansmann Ulrich H.E.,
Okamoto Yuko,
Onuchic Jose N.
Publication year - 1999
Publication title -
proteins: structure, function, and bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.699
H-Index - 191
eISSN - 1097-0134
pISSN - 0887-3585
DOI - 10.1002/(sici)1097-0134(19990301)34:4<472::aid-prot7>3.0.co;2-x
Subject(s) - energy landscape , funnel , folding funnel , folding (dsp implementation) , context (archaeology) , monte carlo method , protein folding , statistical physics , peptide , downhill folding , physics , chemistry , geography , mathematics , engineering , thermodynamics , statistics , biochemistry , organic chemistry , archaeology , phi value analysis , electrical engineering
We study the free energy landscape of the small peptide Met‐enkephalin. Our data were obtained from a generalized‐ensemble Monte Carlo simulation taking the interactions among all atoms into account. We show that the free energy landscape resembles that of a funnel, indicating that this peptide is a good folder. Our work demonstrates that the energy landscape picture and folding concept, developed in the context of simplified protein models, can also be used to describe the folding in more realistic models. Proteins 1999;34:472–483. © 1999 Wiley‐Liss, Inc.