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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...
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| Publicado no: | J Chem Inf Model |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2020
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7307881/ https://ncbi.nlm.nih.gov/pubmed/32130862 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00945 |
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