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Are Current Molecular Dynamics Force Fields too Helical?
Accurate force fields are essential for the success of molecular dynamics simulations. In apparent contrast to the conformational preferences of most force fields, recent NMR experiments suggest that short polyalanine peptides in water populate the polyproline II structure almost exclusively. To inv...
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| Main Authors: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
The Biophysical Society
2008
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2426634/ https://ncbi.nlm.nih.gov/pubmed/18456823 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.108.132696 |
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