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Developing Force Fields from the Microscopic Structure of Solutions
We have been developing force fields designed for the eventual simulation of peptides and proteins using the Kirkwood-Buff (KB) theory of solutions as a guide. KB theory provides exact information on the relative distributions for each species present in solution. This information can also be obtain...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2821164/ https://ncbi.nlm.nih.gov/pubmed/20161692 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.fluid.2009.11.023 |
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