KFU. Card publication. A quantum chemical study of an interaction between collagen fragments and calcium ions using calcula-tions of model complexes

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A QUANTUM CHEMICAL STUDY OF AN INTERACTION BETWEEN COLLAGEN FRAGMENTS AND CALCIUM IONS USING CALCULA-TIONS OF MODEL COMPLEXES

Form of presentation

Articles in Russian journals and collections

Year of publication

2015

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Authors, employees of KFU

Aganov Albert Vartanovich, author

Aminova Roza Mukhametovna, author

Galiullina Leysan Faritovna, author

Klochkov Vladimir Vasilevich, author

Bibliographic description in the original language

Aminova R.M. A quantum chemical study of an interaction between collagen fragments and calcium ions using calcula-tions of model complexes / R.M. Aminova, L.F. Galiullina, V.V. Klochkov, A.V. Aganov // Russian Chemical Bulletin. – 2015. – Vol. 64 (1). – P. 210-215.

Annotation

Quantum chemical calculations revealed that the complexation between proline-containing collagen fragments and calcium ions involves a preferential interaction between Ca2+ ions and the oxygen and nitrogen atoms of proline in the glycine?proline?alanine fragment of the amino acid sequence of collagen.

Keywords

collagen fragments, amino acids, calcium ions, density functional theory, the functional B3LYP, natural bond orbitals ? NMR shielding constants ? gauge invariant atomic orbitals

The name of the journal

Russian Chemical Bulletin

URL

http://link.springer.com/article/10.1007%2Fs10858-015-9920-0

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=114434&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Aganov Albert Vartanovich	ru_RU
dc.contributor.author	Aminova Roza Mukhametovna	ru_RU
dc.contributor.author	Galiullina Leysan Faritovna	ru_RU
dc.contributor.author	Klochkov Vladimir Vasilevich	ru_RU
dc.date.accessioned	2015-01-01T00:00:00Z	ru_RU
dc.date.available	2015-01-01T00:00:00Z	ru_RU
dc.date.issued	2015	ru_RU
dc.identifier.citation	Aminova R.M. A quantum chemical study of an interaction between collagen fragments and calcium ions using calcula-tions of model complexes / R.M. Aminova, L.F. Galiullina, V.V. Klochkov, A.V. Aganov // Russian Chemical Bulletin. – 2015. – Vol. 64 (1). – P. 210-215.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=114434&p_lang=2	ru_RU
dc.description.abstract	Russian Chemical Bulletin	ru_RU
dc.description.abstract	Quantum chemical calculations revealed that the complexation between proline-containing collagen fragments and calcium ions involves a preferential interaction between Ca2+ ions and the oxygen and nitrogen atoms of proline in the glycine?proline?alanine fragment of the amino acid sequence of collagen.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	collagen fragments	ru_RU
dc.subject	amino acids	ru_RU
dc.subject	calcium ions	ru_RU
dc.subject	density functional theory	ru_RU
dc.subject	the functional B3LYP	ru_RU
dc.subject	natural bond orbitals ? NMR shielding constants ? gauge invariant atomic orbitals	ru_RU
dc.title	A quantum chemical study of an interaction between collagen fragments and calcium ions using calcula-tions of model complexes	ru_RU
dc.type	Articles in Russian journals and collections	ru_RU