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Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energies
Implicit solvent models are important tools for calculating solvation free energies for chemical and biophysical studies since they require fewer computational resources but can achieve accuracy comparable to that of explicit-solvent models. In past papers, geometric flow-based solvation models have...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3862591/ https://ncbi.nlm.nih.gov/pubmed/24289345 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4832900 |
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