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On the Application of Accelerated Molecular Dynamics to Liquid Water Simulations
Our group recently proposed a robust bias potential function that can be used in an efficient all-atom accelerated molecular dynamics approach to simulate the transition of high energy barriers without any advance knowledge of the potential energy landscape. The main idea is to modify the potential-...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2006
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2556231/ https://ncbi.nlm.nih.gov/pubmed/17092018 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp062845o |
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