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Molecular dynamics simulation of the Escherichia coli NikR protein: equilibrium conformational fluctuations reveal interdomain allosteric communication pathways
Authors:Bradley Michael J  Chivers Peter T  Baker Nathan A
Institution:1 Graduate Program in Molecular Biophysics, Washington University in St. Louis, St. Louis, MO 63110, USA
2 Department of Biochemistry and Molecular Biophysics, Washington University in St. Louis, St. Louis, MO 63110, USA
Abstract:
Keywords:RHH  ribbon-helix-helix  ACT  aspartokinase  chorismate mutase  and TyrA  MD  molecular dynamics  PCA  principal component analysis  MSA  multiple sequence alignment
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