Charge-Transfer Knowledge Graph among Amino Acids Derived from High-Throughput Electronic Structure Calculations for Protein Database

[Image: see text] The charge-transfer coupling is an important component in tight-binding methods. Because of the highly complex chemical structure of biomolecules, the anisotropic feature of charge-transfer couplings in realistic proteins cannot be ignored. In this work, we have performed the first...

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Detalles Bibliográficos
Autores principales: Wang, Hongwei, Liu, Fang, Dong, Tiange, Du, Likai, Zhang, Dongju, Gao, Jun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641752/
https://www.ncbi.nlm.nih.gov/pubmed/31458645
http://dx.doi.org/10.1021/acsomega.8b00336

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641752/
https://www.ncbi.nlm.nih.gov/pubmed/31458645
http://dx.doi.org/10.1021/acsomega.8b00336

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