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Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein–Protein Interfaces
Building on the substantial progress that has been made in using free energy perturbation (FEP) methods to predict the relative binding affinities of small molecule ligands to proteins, we have previously shown that results of similar quality can be obtained in predicting the effect of mutations on...
Zapisane w:
| Wydane w: | J Mol Biol |
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| Główni autorzy: | , , , , , , |
| Format: | Artigo |
| Język: | Inglês |
| Wydane: |
Elsevier
2019
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| Hasła przedmiotowe: | |
| Dostęp online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6453258/ https://ncbi.nlm.nih.gov/pubmed/30776430 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmb.2019.02.003 |
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