Probing the salt bridge in the dihydrofolate reductase-methotrexate complex by using the coordinate-coupled free-energy perturbation method.
The importance of the ionic interaction due to the formation of the salt bridge between the Asp-27 and the pteridine ring in Escherichia coli dihydrofolate reductase-methotrexate complex has been studied by using the free-energy perturbation method. The calculation suggests that the ion-pair contrib...
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| Publicat a: | Proc Natl Acad Sci U S A |
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| Autor principal: | |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
1988
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC280412/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/3380791/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.85.12.4280 |
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