Evaluating the transferability of coarse-grained, density-dependent implicit solvent models to mixtures and chains
Previously, we described a coarse-graining method for creating local density-dependent implicit solvent (DDIS) potentials that reproduce the radial distribution function (RDF) and solute excess chemical potential across a range of particle concentrations [ E. C. Allen and G. C. Rutledge, J. Chem. Ph...
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| Format: | Article |
| Language: | English |
| Published: |
American Institute of Physics,
2012-01-30T17:34:39Z.
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| Subjects: | |
| Online Access: | Get fulltext |