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Published in 2019 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-019-00204-0
Abstract: Here we report the description of the conformational pathways connecting the Lck active and inactive states by means of all-atoms molecular dynamics simulations coupled to an enhancing sampling methodology. By such an approach, we describe…
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Keywords:
activation deactivation;
kinase;
deactivation pathways;
lck kinase ... See more keywords