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A Robotics-Inspired Screening Algorithm for Molecular Caging Prediction
[Image: see text] We define a molecular caging complex as a pair of molecules in which one molecule (the “host” or “cage”) possesses a cavity that can encapsulate the other molecule (the “guest”) and prevent it from escaping. Molecular caging complexes can be useful in applications such as molecular...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7307881/ https://www.ncbi.nlm.nih.gov/pubmed/32130862 http://dx.doi.org/10.1021/acs.jcim.9b00945 |