Binding Ensembles of <i>p53</i>-MDM2 Peptide Inhibitors by Combining Bayesian Inference and Atomistic Simulations
Designing peptide inhibitors of the <i>p53</i>-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 fol...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-01-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/26/1/198 |