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Steady-state simulations using weighted ensemble path sampling

We extend the weighted ensemble (WE) path sampling method to perform rigorous statistical sampling for systems at steady state. A straightforward steady-state implementation of WE is directly practical for simple landscapes, but not when significant metastable intermediates states are present. We th...

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Hlavní autoři: Bhatt, Divesh, Zhang, Bin W., Zuckerman, Daniel M.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Institute of Physics 2010
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2912933/
https://ncbi.nlm.nih.gov/pubmed/20614962
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3456985
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