Cargando…
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...
Autores principales: | Husseini, Fouad S., Robinson, David, Hunt, Neil T., Parker, Anthony W., Hirst, Jonathan D. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2016
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5434914/ https://www.ncbi.nlm.nih.gov/pubmed/27868210 http://dx.doi.org/10.1002/jcc.24674 |
Ejemplares similares
-
Computed optical spectra of SARS-CoV-2 proteins()
por: Li, Zhuo, et al.
Publicado: (2020) -
Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling
por: Curti, Mariano, et al.
Publicado: (2023) -
Examining the role of protein structural dynamics in drug resistance in Mycobacterium tuberculosis
por: Shaw, Daniel J., et al.
Publicado: (2017) -
(Noble Gas)(
n
)‐NC(+) Molecular Ions in Noble Gas Matrices: Matrix Infrared Spectra and Electronic Structure Calculations
por: Tsegaw, Yetsedaw A., et al.
Publicado: (2021) -
Clusteroluminescence from Cluster Excitons in Small Heterocyclics Free of Aromatic Rings
por: He, Benzhao, et al.
Publicado: (2021)