Protein hydration water: Focus on low density and high density local structures upon cooling

Journal of Molecular Liquids(2023)

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摘要
•Local structures were studied in protein hydration water through order parameters.•Contributions of low- and high-density liquids were found in protein hydration water.•Hydration water has higher fraction of high-density structures than bulk water.•Hydration water is mostly high-density in the range 300-200 K as per the q-parameter•In hydration water low-density features prevail below 220 K as per the V4 parameter
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关键词
Hydration water,Order parameters,Low-density,High-density,Protein,Bulk water
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