Computing infrared spectra of proteins using the exciton model
The ability to compute from first principles the infrared spectrum of a protein in solution phase representing a biological system would provide a useful connection to atomistic models of protein structure and dynamics. Indeed, such calculations are a vital complement to 2DIR experimental measuremen...
| Main Authors: | , , , , |
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| Format: | Article |
| Published: |
Wiley
2016
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| Subjects: | |
| Online Access: | https://eprints.nottingham.ac.uk/38384/ |