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Molecular Dynamics Free Energy Calculations to Assess the Possibility of Water Existence in Protein Nonpolar Cavities
Are protein nonpolar cavities filled with water molecules? Although many experimental and theoretical investigations have been done, particularly for the nonpolar cavity of IL-1β, the results are still conflicting. To study this problem from the thermodynamic point of view, we calculated hydration f...
שמור ב:
| Main Authors: | , |
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| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
The Biophysical Society
2010
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2884266/ https://ncbi.nlm.nih.gov/pubmed/20550910 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.01.029 |
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