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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...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| 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 |