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Accurate, conformation-dependent predictions of solvent effects on protein ionization constants
Predicting how aqueous solvent modulates the conformational transitions and influences the pKa values that regulate the biological functions of biomolecules remains an unsolved challenge. To address this problem, we developed FDPB_MF, a rotamer repacking method that exhaustively samples side chain c...
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| Hauptverfasser: | , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
National Academy of Sciences
2007
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1829236/ https://ncbi.nlm.nih.gov/pubmed/17360348 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0700188104 |
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