Wird geladen...
Reparameterization of Protein Force Field Nonbonded Interactions Guided by Osmotic Coefficient Measurements from Molecular Dynamics Simulations
There is a small, but growing, body of literature describing the use of osmotic coefficient measurements to validate and reparameterize simulation force fields. Here we have investigated the ability of five very commonly used force field and water model combinations to reproduce the osmotic coeffici...
Gespeichert in:
| Veröffentlicht in: | J Chem Theory Comput |
|---|---|
| Hauptverfasser: | , , , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2017
|
| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5543770/ https://ncbi.nlm.nih.gov/pubmed/28296391 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b01059 |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|