ATTRACT and PTOOLS: Open source programs for protein-protein docking

Sebastian Schneider, Adrien Saladin, Sébastien Fiorucci, Chantal Prévost, Martin Zacharias

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

18 Scopus citations

Abstract

The prediction of the structure of protein-protein complexes based on structures or structural models of isolated partners is of increasing importance for structural biology and bioinformatics. The ATTRACT program can be used to perform systematic docking searches based on docking energy minimization. It is part of the object-oriented PTools library written in Python and C++. The library contains various routines to manipulate protein structures, to prepare and perform docking searches as well as analyzing docking results. It also intended to facilitate further methodological developments in the area of macromolecular docking that can be easily integrated. Here, we describe the application of PTools to perform systematic docking searches and to analyze the results. In addition, the possibility to perform multi-component docking will also be presented.

Original languageEnglish
Title of host publicationComputational Drug Discovery and Design
EditorsRiccardo Baron
Pages221-232
Number of pages12
DOIs
StatePublished - 2012
Externally publishedYes

Publication series

NameMethods in Molecular Biology
Volume819
ISSN (Print)1064-3745

Keywords

  • Binding interface prediction
  • Coarse-grained modeling
  • Flexible docking
  • Normal mode analysis
  • Protein-protein interaction

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