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Introducing sampling entropy in repository based adaptive umbrella sampling

Determining free energy surfaces along chosen reaction coordinates is a common and important task in simulating complex systems. Due to the complexity of energy landscapes and the existence of high barriers, one widely pursued objective to develop efficient simulation methods is to achieve uniform s...

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Autores principales: Zheng, Han, Zhang, Yingkai
Formato: Artigo
Lenguaje:Inglês
Publicado: American Institute of Physics 2009
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC2802197/
https://ncbi.nlm.nih.gov/pubmed/19968335
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3267549
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