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Time-Dependent Perspective for the Intramolecular Couplings of the N–H Stretches of Protonated Tryptophan
[Image: see text] Quasi-classical direct dynamics simulations, performed with the B3LYP-D3/cc-pVDZ electronic structure theory, are reported for vibrational relaxation of the three NH stretches of the −NH(3)(+) group of protonated tryptophan (TrpH(+)), excited to the n = 1 local mode states. The int...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7246975/ https://www.ncbi.nlm.nih.gov/pubmed/32352296 http://dx.doi.org/10.1021/acs.jpca.0c01611 |