AIM: A Mapping Program for Infrared Spectroscopy of Proteins

[Image: see text] Here, we present a new analysis program, AIM, that allows extracting the vibrational amide-I Hamiltonian using molecular dynamics trajectories for protein infrared spectroscopy modeling. The constructed Hamiltonians can be used as input for spectral calculations allowing the calcul...

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Detalles Bibliográficos
Autores principales: van Adrichem, Kim E., Jansen, Thomas L. C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097285/
https://www.ncbi.nlm.nih.gov/pubmed/35387451
http://dx.doi.org/10.1021/acs.jctc.2c00113

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9097285/
https://www.ncbi.nlm.nih.gov/pubmed/35387451
http://dx.doi.org/10.1021/acs.jctc.2c00113

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