dorsal/arxiv
View SchemaProbing vibrational energy relaxation in proteins using normal modes
| Authors | Hiroshi Fujisaki, Lintao Bu, John E. Straub |
|---|---|
| Categories | |
| ArXiv ID | q-bio/0408023 |
| URL | https://arxiv.org/abs/q-bio/0408023 |
Abstract
Vibrational energy relaxation (VER) of a selected mode in cytochrome c (hemeprotein) in vacuum is studied using two theoretical approaches: One is the equilibrium simulation approach with quantum correction factors, and the other is the reduced model approach which describes the protein as an ensemble of normal modes coupled with nonlinear coupling elements. Both methods result in estimates of VER time (sub ps) for a CD stretching mode in the protein at room temperature, that are in accord with the experimental data of Romesberg's group. The applicability of the two methods is examined through a discussion of the validity of Fermi's golden rule on which the two methods are based.
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"abstract": "Vibrational energy relaxation (VER) of a selected mode in cytochrome c\n(hemeprotein) in vacuum is studied using two theoretical approaches: One is the\nequilibrium simulation approach with quantum correction factors, and the other\nis the reduced model approach which describes the protein as an ensemble of\nnormal modes coupled with nonlinear coupling elements. Both methods result in\nestimates of VER time (sub ps) for a CD stretching mode in the protein at room\ntemperature, that are in accord with the experimental data of Romesberg\u0027s\ngroup. The applicability of the two methods is examined through a discussion of\nthe validity of Fermi\u0027s golden rule on which the two methods are based.",
"arxiv_id": "q-bio/0408023",
"authors": [
"Hiroshi Fujisaki",
"Lintao Bu",
"John E. Straub"
],
"categories": [
"q-bio.BM"
],
"title": "Probing vibrational energy relaxation in proteins using normal modes",
"url": "https://arxiv.org/abs/q-bio/0408023"
},
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