Accurate Machine Learning Prediction of Protein Circular Dichroism Spectra with Embedded Density Descriptors

[Image: see text] A data-driven approach to simulate circular dichroism (CD) spectra is appealing for fast protein secondary structure determination, yet the challenge of predicting electric and magnetic transition dipole moments poses a substantial barrier for the goal. To address this problem, we...

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Detalles Bibliográficos
Autores principales: Zhao, Luyuan, Zhang, Jinxiao, Zhang, Yaolong, Ye, Sheng, Zhang, Guozhen, Chen, Xin, Jiang, Bin, Jiang, Jun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8715543/
https://www.ncbi.nlm.nih.gov/pubmed/34977905
http://dx.doi.org/10.1021/jacsau.1c00449

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8715543/
https://www.ncbi.nlm.nih.gov/pubmed/34977905
http://dx.doi.org/10.1021/jacsau.1c00449

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