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Thermal Half-Lives of Azobenzene Derivatives: Virtual Screening Based on Intersystem Crossing Using a Machine Learning Potential
[Image: see text] Molecular photoswitches are the foundation of light-activated drugs. A key photoswitch is azobenzene, which exhibits trans–cis isomerism in response to light. The thermal half-life of the cis isomer is of crucial importance, since it controls the duration of the light-induced biolo...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9951306/ https://www.ncbi.nlm.nih.gov/pubmed/36844486 http://dx.doi.org/10.1021/acscentsci.2c00897 |