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PMID: 9990014 Published · ppublish English Journal Article Research Support, U.S. Gov't, Non-P.H.S.

Folding pathway of a lattice model for proteins.

Proceedings of the National Academy of Sciences of the United States of America ·Vol. 96 ·No. 4 ·1999-02-16 ·Pages 1273-8

Pande VS, Rokhsar DS

Abstract

The folding of a protein-like heteropolymer is studied by using direct simulation of a lattice model that folds rapidly to a well-defined "native" structure. The details of each molecular folding event depend on the random initial conformation as well as the random thermal fluctuations of the polymer. By analyzing the statistical properties of hundreds of folding events, a classical folding "pathway" for such a polymer is found that includes partially folded, on-pathway intermediates that are shown to be metastable equilibrium states of the polymer. These results are discussed in the context of the "classical" and "new" views of folding.

MeSH Terms
Models, Chemical Models, Molecular Monte Carlo Method Probability Protein Conformation Protein Denaturation Protein Folding Proteins/chemistry,metabolism Thermodynamics
Chemicals
Proteins
Authors & Affiliations
2 authors, click to expand affiliations / ORCID
Pande V S
Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
Rokhsar D S
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40 references, click to expand
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Article Info
Journal
Proceedings of the National Academy of Sciences of the United States of America
Abbr.
Proc Natl Acad Sci U S A
ISSN
0027-8424
DOI
10.1073/pnas.96.4.1273
Published
1999-02-16
Pages
1273-8
Language
English
Region
United States
NLM ID
7505876
PMCID
PMC15453
Subset
IM
External Links
PubMed source DOI: 10.1073/pnas.96.4.1273 PMC Full Text View journal details
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