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...

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Detalles Bibliográficos
Autores principales: Kaiser, Alexander, Jayee, Bhumika, Yao, Yuxuan, Ma, Xinyou, Wester, Roland, Hase, William L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
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

Internet

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

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