Article
Functional annotation of the mesophilic-like character of mutants in a cold-adapted enzyme by self-organising map analysis of their molecular dynamics.
Molecular bioSystems - 1 Oct 2012
Fraccalvieri Domenico, Tiberti Matteo, Pandini Alessandro, Bonati Laura, Papaleo Elena
Abstract excerpt
Multiple comparison of the Molecular Dynamics (MD) trajectories of mutants in a cold-adapted α-amylase (AHA) could be used to elucidate functional features required to restore mesophilic-like activity. Unfortunately it is challenging to identify the different dynamic behaviors and correctly relate them to functional activity by routine analysis. We here employed a previously developed and robust two-stage...
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