Abstract
FoldX is an empirical force field that was developed
for the rapid evaluation of the effect of mutations on
the stability, folding and dynamics of proteins and
nucleic acids. The core functionality of FoldX, namely
the calculation of the free energy of a macromolecule
based on its high-resolution 3D structure, is now
publicly available through a web server at http://
foldx.embl.de/. The current release allows the calculation
of the stability of a protein, calculation of
the positions of the protons and the prediction of
water bridges, prediction of metal binding sites and
the analysis of the free energy of complex formation.
Alanine scanning, the systematic truncation of side
chains to alanine, is also included. In addition, some
reporting functions have been added, and it is now
possible to print both the atomic interaction networks
that constitute the protein, print the structural and
energetic details of the interactions per atom or per
residue, as well as generate a general quality report
of the pdb structure. This core functionality will be
further extended as more FoldX applications are
developed.
| Original language | English |
|---|---|
| Journal | Nucleic Acids Research |
| Volume | 33 |
| Pages (from-to) | W382 |
| ISSN | 0305-1048 |
| Publication status | Published - 2005 |
| Externally published | Yes |