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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Detalles Bibliográficos
Autores principales: Kravchenko, Oleksandr, Varava, Anastasiia, Pokorny, Florian T., Devaurs, Didier, Kavraki, Lydia E., Kragic, Danica
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
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

Internet

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

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