A FLUORESCENCE, 1H NMR SPECTROSCOPY AND MOLECULAR DYNAMICS STUDY OF THE INFLUENCE OF ROTAMER POPULATION ON FLUORESCENCE DECAY OF TYROSINE, PHENYLALANINE AND THEIR DERIVATIVES
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 s...
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| Format: | Article |
| Language: | English |
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Gdańsk University of Technology
2001-07-01
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| Series: | TASK Quarterly |
| Subjects: | |
| Online Access: | https://journal.mostwiedzy.pl/TASKQuarterly/article/view/2288 |
| _version_ | 1817984239912615936 |
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| author | ROBERT GANZYNKOWICZ ADAM LIWO WIESŁAW WICZK |
| author_facet | ROBERT GANZYNKOWICZ ADAM LIWO WIESŁAW WICZK |
| author_sort | ROBERT GANZYNKOWICZ |
| collection | DOAJ |
| description |
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.
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| first_indexed | 2024-04-13T23:43:08Z |
| format | Article |
| id | doaj.art-0639a0de3f2c4596b943f598ea19dc2a |
| institution | Directory Open Access Journal |
| issn | 1428-6394 |
| language | English |
| last_indexed | 2024-04-13T23:43:08Z |
| publishDate | 2001-07-01 |
| publisher | Gdańsk University of Technology |
| record_format | Article |
| series | TASK Quarterly |
| spelling | doaj.art-0639a0de3f2c4596b943f598ea19dc2a2022-12-22T02:24:26ZengGdańsk University of TechnologyTASK Quarterly1428-63942001-07-0153A FLUORESCENCE, 1H NMR SPECTROSCOPY AND MOLECULAR DYNAMICS STUDY OF THE INFLUENCE OF ROTAMER POPULATION ON FLUORESCENCE DECAY OF TYROSINE, PHENYLALANINE AND THEIR DERIVATIVESROBERT GANZYNKOWICZ0ADAM LIWO1WIESŁAW WICZK2University of Gdansk, Faculty of ChemistryUniversity of Gdansk, Faculty of ChemistryUniversity of Gdansk, Faculty of Chemistry 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. https://journal.mostwiedzy.pl/TASKQuarterly/article/view/2288tyrosinephenylalaninerotamersfluorescencemolecular dynamicsNMR spectroscopy |
| spellingShingle | ROBERT GANZYNKOWICZ ADAM LIWO WIESŁAW WICZK A FLUORESCENCE, 1H NMR SPECTROSCOPY AND MOLECULAR DYNAMICS STUDY OF THE INFLUENCE OF ROTAMER POPULATION ON FLUORESCENCE DECAY OF TYROSINE, PHENYLALANINE AND THEIR DERIVATIVES TASK Quarterly tyrosine phenylalanine rotamers fluorescence molecular dynamics NMR spectroscopy |
| title | A FLUORESCENCE, 1H NMR SPECTROSCOPY AND MOLECULAR DYNAMICS STUDY OF THE INFLUENCE OF ROTAMER POPULATION ON FLUORESCENCE DECAY OF TYROSINE, PHENYLALANINE AND THEIR DERIVATIVES |
| title_full | A FLUORESCENCE, 1H NMR SPECTROSCOPY AND MOLECULAR DYNAMICS STUDY OF THE INFLUENCE OF ROTAMER POPULATION ON FLUORESCENCE DECAY OF TYROSINE, PHENYLALANINE AND THEIR DERIVATIVES |
| title_fullStr | A FLUORESCENCE, 1H NMR SPECTROSCOPY AND MOLECULAR DYNAMICS STUDY OF THE INFLUENCE OF ROTAMER POPULATION ON FLUORESCENCE DECAY OF TYROSINE, PHENYLALANINE AND THEIR DERIVATIVES |
| title_full_unstemmed | A FLUORESCENCE, 1H NMR SPECTROSCOPY AND MOLECULAR DYNAMICS STUDY OF THE INFLUENCE OF ROTAMER POPULATION ON FLUORESCENCE DECAY OF TYROSINE, PHENYLALANINE AND THEIR DERIVATIVES |
| title_short | A FLUORESCENCE, 1H NMR SPECTROSCOPY AND MOLECULAR DYNAMICS STUDY OF THE INFLUENCE OF ROTAMER POPULATION ON FLUORESCENCE DECAY OF TYROSINE, PHENYLALANINE AND THEIR DERIVATIVES |
| title_sort | fluorescence 1h nmr spectroscopy and molecular dynamics study of the influence of rotamer population on fluorescence decay of tyrosine phenylalanine and their derivatives |
| topic | tyrosine phenylalanine rotamers fluorescence molecular dynamics NMR spectroscopy |
| url | https://journal.mostwiedzy.pl/TASKQuarterly/article/view/2288 |
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