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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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Detalles Bibliográficos
Main Authors: Hamaneh, Mehdi Bagheri, Buck, Matthias
Formato: Artigo
Idioma:Inglês
Publicado: The Biophysical Society 2007
Assuntos:
Acceso en liña: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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