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Constant pH Molecular Dynamics of Proteins in Explicit Solvent with Proton Tautomerism
pH is a ubiquitous regulator of biological activity, including protein-folding, protein-protein interactions and enzymatic activity. Existing constant pH molecular dynamics (CPHMD) models that were developed to address questions related to the pH-dependent properties of proteins are largely based on...
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| Veröffentlicht in: | Proteins |
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| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2014
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4394622/ https://ncbi.nlm.nih.gov/pubmed/24375620 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.24499 |
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