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Modeling conformational transitions in kinases by molecular dynamics simulations: achievements, difficulties, and open challenges

Protein kinases work because their flexibility allows to continuously switch from inactive to active form. Despite the large number of structures experimentally determined in such states, the mechanism of their conformational transitions as well as the transition pathways are not easily to capture....

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Main Authors: D'Abramo, Marco, Besker, Neva, Chillemi, Giovanni, Grottesi, Alessandro
פורמט: Artigo
שפה:Inglês
יצא לאור: Frontiers Media S.A. 2014
נושאים:
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC4026744/
https://ncbi.nlm.nih.gov/pubmed/24860596
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fgene.2014.00128
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