The FoldX web server: an online force field

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...

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Bibliographic Details
Published in:	Nucleic acids research Vol. 33; no. suppl-2; pp. W382 - W388
Main Authors:	Schymkowitz, Joost, Borg, Jesper, Stricher, Francois, Nys, Robby, Rousseau, Frederic, Serrano, Luis
Format:	Journal Article
Language:	English
Published:	England Oxford University Press 01-07-2005 Oxford Publishing Limited (England)
Subjects:	Databases, Protein Internet Molecular Structure Mutation Nucleic Acid Conformation Polymorphism, Single Nucleotide Protein Conformation Protein Folding Proteins - chemistry Proteins - genetics Software
Online Access:	Get full text
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Summary:	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.
Bibliography:	istex:A51143A3E07B7E7A7C24EC25C3CEF7EAFEF10791 To whom correspondence should be addressed. Tel: +32 2 629 1425; Fax: +32 2 629 2963; Email: joost.schymkowitz@skynet.be local:gki387 ark:/67375/HXZ-V6X7NMFL-H ObjectType-Article-2 SourceType-Scholarly Journals-1 ObjectType-Feature-1 content type line 23 ObjectType-Article-1 ObjectType-Feature-2
ISSN:	0305-1048 1362-4962
DOI:	10.1093/nar/gki387