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Identification of the peroxy adduct in multicopper oxidases by a combination of computational chemistry and extended X-ray absorption fine-structure measurements
- 1.0087769 - ÚOCHB 2008 RIV US eng J - Journal Article
Ryde, U. - Hsiao, Y. W. - Rulíšek, Lubomír - Solomon, E. I.
Identification of the peroxy adduct in multicopper oxidases by a combination of computational chemistry and extended X-ray absorption fine-structure measurements.
[Identifikace peroxy aduktu v multi-copper oxidázách kombinací výpočetní chemie a EXAFS (extended X-ray absorption fine -structure) měření.]
Journal of the American Chemical Society. Roč. 129, č. 4 (2007), s. 726-727. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA MŠMT LC512
Grant - others:Swedish research council(SE) NIHDK 31450
Institutional research plan: CEZ:AV0Z40550506
Keywords : multi-copper oxidases * EXAFS/QM/MM method
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 7.885, year: 2007
By a combintation of QM/MM calculations with raw experimental EXAFS data, the structure of a peroxy adduct, which is an important model for peroxy intermediate in the reaction cycle of multi-copper oxidases, have been identified.
Kombinací QM/MM výpočtů s experimentálními daty získanými metodou EXAFS byla identifikována struktura významného modelu peroxy intermediátu v reakčním cyklu multi-copper oxidáz, tzv. peroxy aduktu.
Permanent Link: http://hdl.handle.net/11104/0149533
Number of the records: 1