This is due to the nonlinear response function scaling with the fourth power of the number of residues involved in the calculations. Moreover, convolution of the bands is still an issue as the number of residues grows, albeit not so much compared with 1D IR. In this thesis, we utilize the exciton approach and molecular dynamics (MD) simulations to compute the 1D and 2D IR signals of small peptides, globular proteins and [Leu] Enkephalin in the presence of three opioid receptors of interest.
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