A Fluorescence, 1H NMR spectroscopy and molecular dynamics study of the influence of rotamer population on fluorescence decay of tyrosine, phenylalanine and their derivatives

• Autorzy: Ganzynkowicz R. , Liwo A. , Wiczk W.
• Konferencja: MD Simulations in Poland: 1st National Symposium (28-30.09.2000, Gdańsk)
• Języki publikacji: EN

Abstrakty

EN

Molecular dynamics simulations were carried out on tyrosine and phenylalanine and their derivatives with various terminal groups to determine the populations of side-chain rotamers. The obtained populations were compared with those calculated from fluorescence-decay lifetime distributions and NMR studies. It was found that theoretically calculated populations do not match the experimental ones, which suggests that the static rotamer model is inadequate to explain the dynamics of tyrosine and phenylalanine side chain in fluorescence and NMR experiments.

Słowa kluczowe

EN

tyrosine; phenylalanine; rotamers; fluorescence; molecular dynamics; NMR spectroscopy

• Wydawca: Politechnika Gdańska
• Czasopismo: TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
• Rocznik: 2001
• Tom: Vol. 5, No 3
• Strony: 311--316
• Opis fizyczny: Bibliogr. 15 poz., rys., tab.

Twórcy

autor

Ganzynkowicz R.

• Faculty of Chemistry, University of Gdansk, Sobieskiego 18, Gransk, Poland

autor

Liwo A.

• Faculty of Chemistry, University of Gdansk, Sobieskiego 18, Gransk, Poland

autor

Wiczk W.

• Faculty of Chemistry, University of Gdansk, Sobieskiego 18, Gransk, Poland

Bibliografia

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