Site specificity of the (alpha)C--H bond dissociation energy for a naturally occurring beta-hairpin peptide-An ab initio study
A naturally occurring beta-hairpin peptide (PDB ID 1UAO) was used as a model to study the backbone oxidation of a protein with ab initio calculation at the B3LYB/6-31G(d) without any constraints. The (alpha)C--H bond dissociation energy of three different glycyl radicals located at different sites o...
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Détails bibliographiques
| Publié dans: | Journal of computational chemistry. - 1984. - 30(2009), 3 vom: 10. Feb., Seite 407-14
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| Auteur principal: |
Cheng, Wan-Chun
(Auteur) |
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| Autres auteurs: |
Jang, Soonmin,
Wu, Chen-Chang,
Lin, Ren-Jie,
Lu, Hsiu-Feng,
Li, Feng-Yin |
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| Format: | Article en ligne
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| Langue: | English |
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| Publié: |
2009
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| Accès à la collection: | Journal of computational chemistry
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| Sujets: | Journal Article
Research Support, Non-U.S. Gov't
Peptides
Proteins |
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