Conformational ensembles of an intrinsically disordered protein pkid with and without a kix domain in explicit solvent investigated by all-atom multicanonical molecular dynamics

HIGHLIGHTS

• who: Koji Umezawa from the Graduate School of Advanced Science and Engineering, Waseda University, Okubo, have published the research: Conformational Ensembles of an Intrinsically Disordered Protein pKID with and without a KIX Domain in Explicit Solvent Investigated by All-Atom Multicanonical Molecular Dynamics, in the Journal: Biomolecules 2012, 2, 104-121 of 28/Dec/2011
• what: This model has been used widely to investigate protein folding and molecular recognition because of its low computational cost. The authors show that the obtained conformational ensemble from the simulation agrees with the experimental features described above, and that . . .
  

   

  

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