Computer simulation of urea-water mixtures: A test of force field parameters for use in biomolecular simulation
A molecular model for urea to be used in conjunction with the simple point charge (SPC) model for liquid water in protein denaturation studies is validated by comparison of molecular dynamics (MD) simulation results to experimental data at 298 K as a function of urea mole fraction. The density, enth...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2004
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