Carregant...
Evaluation of Hydration Free Energy by Level-Set Variational Implicit-Solvent Model with Coulomb-Field Approximation
[Image: see text] In this article, we systematically apply a novel implicit-solvent model, the variational implicit-solvent model (VISM) together with the Coulomb-Field Approximation (CFA), to calculate the hydration free energy of a large set of small organic molecules. Because these molecules have...
Guardat en:
| Autors principals: | , , , , , |
|---|---|
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical Society
2013
|
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3596957/ https://ncbi.nlm.nih.gov/pubmed/23505345 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct301087w |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|