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Protein dynamics investigated by inherent structure analysis

Molecular dynamics (MD) simulations provide essential information about the thermodynamics and dynamics of proteins. To construct the free-energy surface from equilibrium trajectories, it is necessary to group the individual snapshots in a meaningful way. The inherent structures (IS) are shown to pr...

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Bibliografische gegevens
Hoofdauteurs: Rao, Francesco, Karplus, Martin
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: National Academy of Sciences 2010
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2889081/
https://ncbi.nlm.nih.gov/pubmed/20435910
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0915087107
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