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Role of Flexibility and Polarity as Determinants of the Hydration of Internal Cavities and Pockets in Proteins
Molecular dynamics simulations of Staphylococcal nuclease and of 10 variants with internal polar or ionizable groups were performed to investigate systematically the molecular determinants of hydration of internal cavities and pockets in proteins. In contrast to apolar cavities in rigid carbon struc...
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| Main Authors: | , , , , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
Biophysical Society
2007
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1989710/ https://ncbi.nlm.nih.gov/pubmed/17604315 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.107.104182 |
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