Cargando...
Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning
[Image: see text] Molecular mechanics force fields, which are commonly used in biomolecular modeling and computer-aided drug design, typically treat nonbonded interactions using a limited library of empirical parameters that are developed for small molecules. This approach does not account for polar...
Guardado en:
| Publicado en: | J Chem Theory Comput |
|---|---|
| Autores principales: | , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
American
Chemical Society
2016
|
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4864407/ https://ncbi.nlm.nih.gov/pubmed/27057643 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00027 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|