Constraint Theory applied to Proteins

نویسندگان

  • Mykyta Chubynsky
  • Brandon Hespenheide
  • Donald J. Jacobs
  • Leslie A. Kuhn
  • Ming Lei
  • Scott Menor
  • A. J. Rader
  • M. F. Thorpe
  • Walter Whiteley
  • Maria I. Zavodszky
چکیده

In this article we review how constraint theory can be applied to proteins to give useful information about the rigid and flexible regions. This approach includes all the constraints in a biomolecule that are important at room temperature. A rigid region decomposition determines the rigid regions (both stressed and unstressed) and the flexible regions that separate them. Such a rigid region decomposition can be used as input to for a Monte Carlo dynamics in which the flexible regions are allowed to move, consistent with the constraints.

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تاریخ انتشار 2004