What determines the strength of noncovalent association of ligands to proteins in aqueous solution?
Free energy perturbation methods using molecular dynamics have been used to calculate the absolute free energy of association of two ligand-protein complexes. The calculations reproduce the significantly more negative free energy of association of biotin to streptavidin, compared to N-L-acetyltrypto...
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| Publicado no: | Proc Natl Acad Sci U S A |
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| Principais autores: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
1993
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC47364/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/8378312/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.90.18.8402 |
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