Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader

Chameleonicity (the capacity of a molecule to adapt its conformations to the environment) may help to identify orally bioavailable drugs in the beyond-Rule-of-5 chemical space. Computational methods to predict the chameleonic behaviour of degraders have not yet been reported and the identification o...

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Detalles Bibliográficos
Autores principales: Ermondi, Giuseppe, Jimenez, Diego Garcia, Rossi Sebastiano, Matteo, Kihlberg, Jan, Caron, Giulia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9861353/
https://www.ncbi.nlm.nih.gov/pubmed/36678900
http://dx.doi.org/10.3390/pharmaceutics15010272

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9861353/
https://www.ncbi.nlm.nih.gov/pubmed/36678900
http://dx.doi.org/10.3390/pharmaceutics15010272

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