Binding Ensembles of p53-MDM2 Peptide Inhibitors by Combining Bayesian Inference and Atomistic Simulations

Designing peptide inhibitors of the p53-MDM2 interaction against cancer is of wide interest. Computational modeling and virtual screening are a well established step in the rational design of small molecules. But they face challenges for binding flexible peptide molecules that fold upon binding. We...

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Detalles Bibliográficos
Autores principales: Lang, Lijun, Perez, Alberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795311/
https://www.ncbi.nlm.nih.gov/pubmed/33401765
http://dx.doi.org/10.3390/molecules26010198

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795311/
https://www.ncbi.nlm.nih.gov/pubmed/33401765
http://dx.doi.org/10.3390/molecules26010198

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