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Elucidating the folding problem of helical peptides using empirical parameters
Abstract
Using an empirical analysis of experimental data we have estimated a set of energy contributions which accounts for the stability of isolated alpha-helices. With this database and an algorithm based on statistical mechanics, we describe the average helical behaviour in solution of 323 peptides and the helicity per residue of those peptides analyzed by nuclear magnetic resonance. Moreover the algorithm successfully detects the alpha-helical tendency, in solution, of a peptide corresponding to a beta-strand of ubiquitin.
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“indeed, calculations of the percentage of helicity of the CC-Hex*-L24E monomer with Agadir114−118 show 13% helicity at pH 2 and 9% helicity at pH 8.5, with intermediate helicities in the pH range 2–8.5.”
From Assessment of the Topology and Oligomerisation States of Coiled Coils Using Metadynamics with Conformational Restraints (2025) · cites this paper as [114]
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Keshwani, M. M., Klammt, C., von Daake, S., Ma, Y., Kornev, A. P., Choe, S., Insel, P. A., & Taylor, S. S. (2012) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1202741109 · Cited by 57
Metadata
- Authors
- Muñoz, V., & Serrano, L.
- Affiliations
- European Molecular Biology Laboratory (DE)
- Venue
- Nature Structural & Molecular Biology
- Published
- 1994-06
- Volume
- 1
- Issue
- 6
- Pages
- 399-409
- ISSN
- 1545-9985 (ISSN-L)
- 1545-9993
- OpenAlex
- W2083939457
- Cited by
- 721
- References
- 94
- Citations by year
- 2026: 12 · 2025: 9 · 2024: 17 · 2023: 19 · 2022: 19 · 2021: 16 · 2020: 20 · 2019: 14 · 2018: 26 · 2017: 20 · 2016: 15 · 2015: 20 · 2014: 31 · 2013: 29 · 2012: 23
- FWCI
- 8.52
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Nature Structural & Molecular Biology (publishedVersion)
- PubMed (publishedVersion)
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
- Physical Sciences › Chemistry › Organic Chemistry › Chemical Synthesis and Analysis
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › RNA and protein synthesis mechanisms
- Keywords
- helical peptides, alpha-helix stability, peptide folding, nuclear magnetic resonance
- MeSH terms
- Algorithms, Amino Acid Sequence, Circular Dichroism, Hydrogen Bonding, Molecular Sequence Data, Magnetic Resonance Spectroscopy, Solutions, Ubiquitins, Protein Structure, Secondary, Protein Folding
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