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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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Autori principali: Baştuğ, Turgut, Kuyucak, Serdar
Natura: Artigo
Lingua:Inglês
Pubblicazione: The Biophysical Society 2009
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Accesso online: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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