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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-06-01
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| Series: | Liquids |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-8015/3/3/18 |