DOI: 10.1002/jcc.1162. Folding funnels: The key to robust protein structure prediction

Folding funnels: The key to robust protein structure prediction

10.1002/jcc.1162

Crossref journal-article

Wiley

Journal of Computational Chemistry (311)

Abstract

AbstractNatural proteins fold because their free energy landscapes are funneled to their native states. The degree to which a model energy function for protein structure prediction can avoid the multiple minima problem and reliably yield at least low‐resolution predictions is also dependent on the topography of the energy landscape. We show that the degree of funneling can be quantitatively expressed in terms of a few averaged properties of the landscape. This allows us to optimize simplified energy functions for protein structure prediction even in the absence of homology information. Here we outline the optimization procedure in the context of associative memory energy functions originally introduced for tertiary structure recognition and demonstrate that even partially funneled landscapes lead to qualitatively correct, low‐resolution predictions. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 138–146, 2002

Bibliography

Hardin, C., Eastwood, M. P., Prentiss, M., LutheyâSchulten, Z., & Wolynes, P. G. (2001). Folding funnels: The key to robust protein structure prediction. Journal of Computational Chemistry, 23(1), 138â146. Portico.

Authors 5

Corey Hardin (first)
Michael P. Eastwood (additional)
Michael Prentiss (additional)
Z. Luthey‐Schulten (additional)
Peter G. Wolynes (additional)

References 21 Referenced 49

{'key': 'e_1_2_7_2_2', 'first-page': '7574', 'volume': '84', 'author': 'Bryngelson J. D.', 'year': '1981', 'journal-title': 'Proc Natl Acad Sci USA'} / Proc Natl Acad Sci USA by Bryngelson J. D. (1981)
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10.1002/(SICI)1096-987X(199705)18:7<874::AID-JCC2>3.0.CO;2-O
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10.1002/1097-0134(20010215)42:3<422::AID-PROT120>3.0.CO;2-2
10.1002/prot.340210302
Eastwood M.;Hardin C.;Luthey‐Schulten Z.;Wolynes P. G. in preparation.
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10.1063/1.479101

Dates

Type	When
Created	23 years ago (Aug. 25, 2002, 12:22 p.m.)
Deposited	1 year, 11 months ago (Sept. 13, 2023, 8:02 p.m.)
Indexed	1 year, 6 months ago (Feb. 23, 2024, 1:27 p.m.)
Issued	23 years, 9 months ago (Nov. 14, 2001)
Published	23 years, 9 months ago (Nov. 14, 2001)
Published Online	23 years, 9 months ago (Nov. 14, 2001)
Published Print	23 years, 7 months ago (Jan. 15, 2002)

Funders 0

None

BibTeX

@article{Hardin_2001, title={Folding funnels: The key to robust protein structure prediction}, volume={23}, ISSN={1096-987X}, url={http://dx.doi.org/10.1002/jcc.1162}, DOI={10.1002/jcc.1162}, number={1}, journal={Journal of Computational Chemistry}, publisher={Wiley}, author={Hardin, Corey and Eastwood, Michael P. and Prentiss, Michael and Luthey‐Schulten, Z. and Wolynes, Peter G.}, year={2001}, month=nov, pages={138–146} }

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