Selected article for: "ensemble structure and NMR structure"

Author: Clarkson, Michael W.; Lei, Ming; Eisenmesser, Elan Z.; Labeikovsky, Wladimir; Redfield, Alfred; Kern, Dorothee
Title: Mesodynamics in the SARS nucleocapsid measured by NMR field cycling
  • Document date: 2009_7_30
  • ID: zso72hho_24
    Snippet: Although the similarity in correlation times for the entire bhairpin and a number of residues that are far away in sequence but close in structure suggests a collective motion, the ensemble nature of NMR measurements precludes a direct verification. For this goal, we performed a 15 ns all-atom MD simulation of the SARSN N-terminal domain in explicit solvent. Here, correlated motions can be directly identified, since the simulations are performed .....
    Document: Although the similarity in correlation times for the entire bhairpin and a number of residues that are far away in sequence but close in structure suggests a collective motion, the ensemble nature of NMR measurements precludes a direct verification. For this goal, we performed a 15 ns all-atom MD simulation of the SARSN N-terminal domain in explicit solvent. Here, correlated motions can be directly identified, since the simulations are performed on a single molecule.

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