Dominant kinetic paths on biomolecular binding-folding energy landscape.


Journal Article

The identification of kinetic pathways is a central issue in understanding the nature of flexible binding. A new approach is proposed here to study the dynamics of this binding-folding process through the establishment of a path integral framework on the underlying energy landscape. The dominant kinetic paths of binding and folding can be determined and quantified. In this case, the corresponding kinetic paths of binding are shown to be intimately correlated with those of folding and the dynamics becomes quite cooperative. The kinetic time can be obtained through the contributions from the dominant paths and has a U-shape dependence on temperature.

Full Text

Duke Authors

Cited Authors

  • Wang, J; Zhang, K; Lu, H; Wang, E

Published Date

  • April 28, 2006

Published In

Volume / Issue

  • 96 / 16

Start / End Page

  • 168101 -

PubMed ID

  • 16712278

Pubmed Central ID

  • 16712278

International Standard Serial Number (ISSN)

  • 0031-9007

Digital Object Identifier (DOI)

  • 10.1103/PhysRevLett.96.168101


  • eng

Conference Location

  • United States