Theoretical study on orientations of axially coordinated imidazoles in model systems of cytochromes
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2003
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Metapodaci
Prikaz svih podataka o dokumentuApstrakt
The quantum chemical (DFT) calculations were performed on heme model systems with non-substituted Fe-porphyrin core for the different orientations of the axially coordinated imidazoles of [Fe-II(por)(im)(2)] and [Fe-III(por)(im)(2)](+) complexes. These calculations show that the energy difference between parallel and perpendicular orientations of imidazoles is very small for both Fe(II) and Fe(III) complexes, and that there is almost no preference for one or other orientation. (C) 2003 Elsevier Science B.V. All rights reserved.
Ključne reči:
proteins / imidazole / ligands / iron / porphyrins / DFT calculations / heme / steric interactionsIzvor:
Inorganica Chimica Acta, 2003, 349, 1-5Izdavač:
- Elsevier Science Sa, Lausanne
DOI: 10.1016/S0020-1693(03)00086-0
ISSN: 0020-1693
WoS: 000183673100001
Scopus: 2-s2.0-0038730429
Kolekcije
Institucija/grupa
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Medaković, Vesna AU - Zarić, Snežana D. PY - 2003 UR - https://cherry.chem.bg.ac.rs/handle/123456789/560 AB - The quantum chemical (DFT) calculations were performed on heme model systems with non-substituted Fe-porphyrin core for the different orientations of the axially coordinated imidazoles of [Fe-II(por)(im)(2)] and [Fe-III(por)(im)(2)](+) complexes. These calculations show that the energy difference between parallel and perpendicular orientations of imidazoles is very small for both Fe(II) and Fe(III) complexes, and that there is almost no preference for one or other orientation. (C) 2003 Elsevier Science B.V. All rights reserved. PB - Elsevier Science Sa, Lausanne T2 - Inorganica Chimica Acta T1 - Theoretical study on orientations of axially coordinated imidazoles in model systems of cytochromes VL - 349 SP - 1 EP - 5 DO - 10.1016/S0020-1693(03)00086-0 ER -
@article{ author = "Medaković, Vesna and Zarić, Snežana D.", year = "2003", abstract = "The quantum chemical (DFT) calculations were performed on heme model systems with non-substituted Fe-porphyrin core for the different orientations of the axially coordinated imidazoles of [Fe-II(por)(im)(2)] and [Fe-III(por)(im)(2)](+) complexes. These calculations show that the energy difference between parallel and perpendicular orientations of imidazoles is very small for both Fe(II) and Fe(III) complexes, and that there is almost no preference for one or other orientation. (C) 2003 Elsevier Science B.V. All rights reserved.", publisher = "Elsevier Science Sa, Lausanne", journal = "Inorganica Chimica Acta", title = "Theoretical study on orientations of axially coordinated imidazoles in model systems of cytochromes", volume = "349", pages = "1-5", doi = "10.1016/S0020-1693(03)00086-0" }
Medaković, V.,& Zarić, S. D.. (2003). Theoretical study on orientations of axially coordinated imidazoles in model systems of cytochromes. in Inorganica Chimica Acta Elsevier Science Sa, Lausanne., 349, 1-5. https://doi.org/10.1016/S0020-1693(03)00086-0
Medaković V, Zarić SD. Theoretical study on orientations of axially coordinated imidazoles in model systems of cytochromes. in Inorganica Chimica Acta. 2003;349:1-5. doi:10.1016/S0020-1693(03)00086-0 .
Medaković, Vesna, Zarić, Snežana D., "Theoretical study on orientations of axially coordinated imidazoles in model systems of cytochromes" in Inorganica Chimica Acta, 349 (2003):1-5, https://doi.org/10.1016/S0020-1693(03)00086-0 . .