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Integrated structure mass spectrometry and computational simulation to explore phosphorylation mediated protein allosteric regulation and conformational dynamics in glycogen phosphorylase

In this paper, NTD MS, HDX MS, PF analysis and MD simulation were integrated to detect the structure and dynamic basis of GP phosphorylation allosteric regulation process. Through this integrated structure method, the conformational flexibility, local dynamics and the information worthy of attention in the long-range allosteric regulation of conformational change of GP were revealed.