Excitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approach
Quantum theory was applied for the simulation of torsional vibrations in a protein by collision with a solvent molecule. Time-dependent as well as time independent methods were used for solving the scattering problem, and individual excitation of torsional modes was analyzed. A mode-selective effect...
| Главные авторы: | , |
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| Формат: | Journal article |
| Язык: | English |
| Опубликовано: |
2002
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| _version_ | 1826295119982100480 |
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| author | Clary, D Meijer, A |
| author_facet | Clary, D Meijer, A |
| author_sort | Clary, D |
| collection | OXFORD |
| description | Quantum theory was applied for the simulation of torsional vibrations in a protein by collision with a solvent molecule. Time-dependent as well as time independent methods were used for solving the scattering problem, and individual excitation of torsional modes was analyzed. A mode-selective effect was found in the computations. Results showed that it was easier to excite backbone torsions than sidechain torsions in the protein. |
| first_indexed | 2024-03-07T03:56:10Z |
| format | Journal article |
| id | oxford-uuid:c2ef12c7-3ad1-4c54-9b83-adaade386f6f |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T03:56:10Z |
| publishDate | 2002 |
| record_format | dspace |
| spelling | oxford-uuid:c2ef12c7-3ad1-4c54-9b83-adaade386f6f2022-03-27T06:12:46ZExcitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approachJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:c2ef12c7-3ad1-4c54-9b83-adaade386f6fEnglishSymplectic Elements at Oxford2002Clary, DMeijer, AQuantum theory was applied for the simulation of torsional vibrations in a protein by collision with a solvent molecule. Time-dependent as well as time independent methods were used for solving the scattering problem, and individual excitation of torsional modes was analyzed. A mode-selective effect was found in the computations. Results showed that it was easier to excite backbone torsions than sidechain torsions in the protein. |
| spellingShingle | Clary, D Meijer, A Excitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approach |
| title | Excitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approach |
| title_full | Excitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approach |
| title_fullStr | Excitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approach |
| title_full_unstemmed | Excitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approach |
| title_short | Excitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approach |
| title_sort | excitation of torsional modes of proteins via collisional energy transfer a quantum dynamical approach |
| work_keys_str_mv | AT claryd excitationoftorsionalmodesofproteinsviacollisionalenergytransferaquantumdynamicalapproach AT meijera excitationoftorsionalmodesofproteinsviacollisionalenergytransferaquantumdynamicalapproach |