Automatic prediction of protein interactions with large scale motion

Dina Schneidman-Duhovny, Ruth Nussinov, Haim J. Wolfson

Research output: Contribution to journalArticlepeer-review

Abstract

Proteins often change their conformation upon binding to other molecules. Taking these conformational changes into account in docking is an extremely difficult task: the larger the scale of the motion the harder it is to predict the structure of the association complex. Here, we present a fully automated method for flexible docking with large scale motion in one of the docked molecules. The method automatically identifies hinge regions and rigid parts and then docks the input mole cules while explicitly consider ing the hinges and possible protein motions.

Original languageEnglish
Pages (from-to)764-773
Number of pages10
JournalProteins: Structure, Function and Genetics
Volume69
Issue number4
DOIs
StatePublished - Dec 2007

Keywords

  • Docking
  • Flexibility
  • Hinge motion
  • Large scale motion

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