Wird geladen...
Force-momentum-based self-guided Langevin dynamics: A rapid sampling method that approaches the canonical ensemble
The self-guided Langevin dynamics (SGLD) is a method to accelerate conformational searching. This method is unique in the way that it selectively enhances and suppresses molecular motions based on their frequency to accelerate conformational searching without modifying energy surfaces or raising tem...
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
American Institute of Physics
2011
|
| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3248022/ https://ncbi.nlm.nih.gov/pubmed/22128922 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3662489 |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|