The FoldX web server: an online force field | Zendy

Joost Schymkowitz | Zendy; JeanPaul Borg | Zendy; François Stricher | Zendy; Rebekah de Nys | Zendy; Françoise Rousseau-Hans | Zendy; L. Serrano | Zendy

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The FoldX web server: an online force field

Author(s) -

Joost Schymkowitz,

JeanPaul Borg,

François Stricher,

Rebekah de Nys,

Françoise Rousseau-Hans,

L. Serrano

Publication year - 2005

Publication title -

nucleic acids research

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 9.008

H-Index - 537

eISSN - 1362-4954

pISSN - 0305-1048

DOI - 10.1093/nar/gki387

Subject(s) - protein data bank (rcsb pdb) , biology , web server , force field (fiction) , nucleic acid , protein stability , protein folding , alanine , folding (dsp implementation) , macromolecule , computational biology , crystallography , biological system , computer science , the internet , biochemistry , amino acid , operating system , chemistry , artificial intelligence , electrical engineering , engineering

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.

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