The FoldX web server: an online force field.

TitleThe FoldX web server: an online force field.
Publication TypeJournal Article
Year of Publication2005
AuthorsSchymkowitz, J, Borg, J, Stricher, F, Nys, R, Rousseau, F, Serrano, L
JournalNucleic Acids Res
Volume33
IssueWeb Server issue
PaginationW382-8
Date Published2005 Jul 01
ISSN1362-4962
KeywordsDatabases, Protein, Internet, Molecular Structure, Mutation, Nucleic Acid Conformation, Polymorphism, Single Nucleotide, Protein Conformation, Protein Folding, Proteins, Software
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.

DOI10.1093/nar/gki387
Alternate JournalNucleic Acids Res.
Citation Key10
PubMed ID15980494
PubMed Central IDPMC1160148