A force field for energy calculations and protein design

We have developed a computer algorithm, FoldX to provide a fast and quantitative estimation of the importance of the interactions contributing to the stability of proteins and protein complexes.
The predictive power of FOLDEF has been tested on a very large set of point mutants (1088 mutants) spanning most of the structural environments found in proteins.
FoldX uses a full atomic description of the structure of the proteins.
The different energy terms taken into account in FoldX have been weighted using empirical data obtained from protein engineering experiments.

The present energy function uses a minimum of computational resources and can therefore easily be used in protein design algorithms, and in the field of protein structure and folding pathways prediction where one requires a fast and accurate energy function.

FoldX consortium

FoldX was developped by the FoldX consortium centered around the laboratory of Luis Serrano at the European Molecular Biology Laboratory in Heidelberg, now at the Centre de Regulació Genòmica in Barcelona. The Following people have contributed to the development:

  • Jesper Borg
  • Joost Schymkowitz
  • Frederic Rousseau
  • Francois Stricher
  • Luis Serrano
based on an original concept by Raphael Guerois and Luis Serrano

Intellectual property

Intellectual property issues are handled by CRG. Only executables are available for download from our website, based on a material transfer agreement (mta) with CRG. The source code is protected.