Načítá se...
AWE-WQ: Fast-Forwarding Molecular Dynamics Using the Accelerated Weighted Ensemble
[Image: see text] A limitation of traditional molecular dynamics (MD) is that reaction rates are difficult to compute. This is due to the rarity of observing transitions between metastable states since high energy barriers trap the system in these states. Recently the weighted ensemble (WE) family o...
Uloženo v:
| Hlavní autoři: | , , , , , , |
|---|---|
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American Chemical
Society
2014
|
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4210180/ https://ncbi.nlm.nih.gov/pubmed/25207854 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500321g |
| Tagy: |
Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!
|