Hydration of Phosphate Ion in Polarizable Water: Effect of Temperature and Concentration
The hydration of phosphate ions, an essential component of many biological molecules, is studied using all-atom molecular dynamics (MD) simulation and quantum chemical methods. MD simulations are carried out by employing a mean-field polarizable water model. A good linear correlation between the sel...
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| Hoofdauteurs: | , |
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| Formaat: | Artigo |
| Taal: | Inglês |
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MDPI AG
2023-06-01
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| Reeks: | Liquids |
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| Online toegang: | https://www.mdpi.com/2673-8015/3/3/18 |
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