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Tabulation as a high-resolution alternative to coarse-graining protein interactions: Initial application to virus capsid subunits
Traditional coarse-graining based on a reduced number of interaction sites often entails a significant sacrifice of chemical accuracy. As an alternative, we present a method for simulating large systems composed of interacting macromolecules using an energy tabulation strategy previously devised for...
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| Veröffentlicht in: | J Chem Phys |
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| Hauptverfasser: | , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
AIP Publishing LLC
2015
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4698120/ https://ncbi.nlm.nih.gov/pubmed/26723644 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4938479 |
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