Modelling 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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Bibliographic Details
Main Authors: Marco eD'Abramo, Neva eBesker, Giovanni eChillemi, Alessandro eGrottesi
Format: Article
Language:English
Published: Frontiers Media S.A. 2014-05-01
Series:Frontiers in Genetics
Subjects:
Online Access:http://journal.frontiersin.org/Journal/10.3389/fgene.2014.00128/full