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Acceptable Protein and Solvent Behavior in Primary Hydration Shell Simulations of Hen Lysozyme
The “primary hydration shell” method in molecular dynamics simulations uses a two- to three-layer thick shell of explicitly represented water molecules as the solvent around the protein of interest. We show that despite its simplicity, this computationally cheap model is capable of predicting accept...
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| Auteurs principaux: | , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
The Biophysical Society
2007
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1864839/ https://ncbi.nlm.nih.gov/pubmed/17259273 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.103010 |
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