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.

FoldX was created in the Serrano lab at the Heidelberg Laboratory of the EMBL by Raphael Guerois, Jens Nielsen, Jesper Ferkinghoff-Borg, Joost Schymkowitz, Frederic Rousseau, Francois Stricher and Luis Serrano.


News
  • FoldX 3.0 Beta3 released with new mutation capabilities. You can download it, after log in on this page.
  • Warning: Dear Users, The version 3.0 is a beta version, the final one will be released soon. Please be aware that there are some things not yet fully operational. For the moment, avoid mutating DNA to the methylated bases. Please if you find some problems, send us an email.
  • Warning: The energy values of the version 3.0 beta have been fitted to correlate with differences in energies between wild type and mutant. Do not take them as absolute values of the stability (or affinity) of your protein (or complex).

 Links
FoldX/Yasara : FoldX plugin for Yasara
logo brix BriX : Fragmenting the protein space
logo smartcell SmartCell : A Cell Network Simulation Program
logo smartcell Tango : A computer algorithm for prediction of aggregating regions in unfolded polypeptide chains