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Importance of the Peptide Backbone Description in Modeling the Selectivity Filter in Potassium Channels
A dihedral energy correction (CMAP) term has been recently included in the CHARMM force field to obtain a more accurate description of the peptide backbone. Its importance in improving dynamical properties of proteins and preserving their stability in long molecular-dynamics simulations has been est...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2996537/ https://ncbi.nlm.nih.gov/pubmed/19450472 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2009.02.041 |
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