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Excitation of torsional modes of proteins via collisional energy transfer: A quantum dynamical approach

Abstract:
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.
Publication status:
Published

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Publisher copy:
10.1063/1.1476319

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Meijer, AJHM More by this author
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
116
Issue:
22
Pages:
9829-9838
Publication date:
2002-06-08
DOI:
ISSN:
0021-9606
URN:
uuid:c2ef12c7-3ad1-4c54-9b83-adaade386f6f
Source identifiers:
52760
Local pid:
pubs:52760
Language:
English

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