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Absolute Binding Free Energy Calculations for Highly Flexible Protein MDM2 and Its Inhibitors
Reliable prediction of binding affinities for ligand-receptor complex has been the primary goal of a structure-based drug design process. In this respect, alchemical methods are evolving as a popular choice to predict the binding affinities for biomolecular complexes. However, the highly flexible pr...
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| Udgivet i: | Int J Mol Sci |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
MDPI
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7369993/ https://ncbi.nlm.nih.gov/pubmed/32635537 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms21134765 |
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