Structure of the Amide I Band of Peptides Measured by Femtosecond Nonlinear-Infrared Spectroscopy

Journal of Physical Chemistry B - Tập 102 Số 31 - Trang 6123-6138 - 1998
Peter Hamm1, Manho Lim1, Robin M. Hochstrasser1
1Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104

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Model calculations were performed only for apamin (18 amino acids) and scyllatoxin (31 amino acids) but not for BPTI (58 amino acids) due to the large computer time which would have been needed. The dimension of the two-exciton matrix isn(n+ 1)/2 ×n(n+ 1)/2, and the computer time necessary to diagonalize this matrix increases withn.6Diagonalizing of one sample matrix of one conformer of scyllatoxin takes ca. 1 min on a silicon graphics 2000 workstation and would take 45 h for BPTI.

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