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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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Main Authors: | , |
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Formato: | Artigo |
Idioma: | Inglês |
Publicado em: |
American Institute of Physics
2009
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Assuntos: | |
Acesso em linha: | 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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