2017•Biophysical JournalOpen access

Characterization of Protein Kinase a Free Energy Landscape by NMR-Restrained Metadynamics

Yingjie Wang, Carlo Camilloni, Jonggul Kim, Michele Vendruscolo, Jiali Gao, Gianluigi Veglia

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Key concepts: Metadynamics, Energy landscape, Characterization (materials science), Chemistry, Crystallography, Materials science, Computational chemistry, Molecular dynamics