Carregant...
On Achieving Experimental Accuracy from Molecular Dynamics Simulations of Flexible Molecules: Aqueous Glycerol
The rotational isomeric states (RIS) of glycerol at infinite dilution have been characterized in the aqueous phase via a 1 μs conventional molecular dynamics (MD) simulation, a 40 ns enhanced sampling replica exchange molecular dynamics (REMD) simulation, and a reevaluation of the experimental NMR d...
Guardat en:
| Autors principals: | , , |
|---|---|
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2008
|
| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4201037/ https://ncbi.nlm.nih.gov/pubmed/18311953 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp710544s |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|