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The kinetics of helix unfolding: Molecular dynamics simulations with Milestoning

The unfolding process of a helical heteropeptide is studied by computer simulation in explicit solvent. A combination of a functional optimization to determine the reaction coordinate and short time trajectories between “Milestones” is used to study the kinetic of the unfolding. One hundred unfoldin...

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Hlavní autoři: Kuczera, Krzysztof, Jas, Gouri S., Elber, Ron
Médium: Artigo
Jazyk:Inglês
Vydáno: 2009
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2710242/
https://ncbi.nlm.nih.gov/pubmed/19354256
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp900407w
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