Carregant...
Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression
[Image: see text] The weighted histogram analysis method (WHAM) is a standard protocol for postprocessing the information from biased umbrella sampling simulations to construct the potential of mean force with respect to a set of order parameters. By virtue of the WHAM equations, the unbiased densit...
Guardat en:
| Publicat a: | J Chem Theory Comput |
|---|---|
| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American
Chemical Society
2015
|
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4894281/ https://ncbi.nlm.nih.gov/pubmed/26574437 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct501130r |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|