A carregar...
Gibbs Sampler Based λ-Dynamics and Rao-Blackwell Estimator for Alchemical Free Energy Calculation
λ-dynamics is a generalized ensemble method for alchemical free energy calculations. In traditional λ-dynamics, the alchemical switch variable λ is treated as a continuous variable ranging from 0 to 1 and an empirical estimator is utilized to approximate the free energy. In the present paper, we des...
Na minha lista:
| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5828534/ https://ncbi.nlm.nih.gov/pubmed/28510433 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00204 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|