Carregant...
Extension of the CHARMM General Force Field to Sulfonyl-Containing Compounds and Its Utility in Biomolecular Simulations
Presented is an extension of the CHARMM General force field (CGenFF) to enable the modeling of sulfonyl-containing compounds. Model compounds containing chemical moieties such as sulfone, sulfonamide, sulfonate and sulfamate were used as the basis for the parameter optimization. Targeting high-level...
Guardat en:
| Autors principals: | , , , |
|---|---|
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2012
|
| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3477297/ https://ncbi.nlm.nih.gov/pubmed/22821581 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23067 |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|