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: | en_US |
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American Institute of Physics
2012
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| Online Access: | http://hdl.handle.net/1721.1/68988 https://orcid.org/0000-0001-8137-1732 |