
A force field for energy calculations and protein design
From CRG - EMBL -VIB

Based on FoldX
FoldX combines a physical description of the interactions with lessons learned from experiments.

FoldX Suite: Modular and portable
LoopX and PepX are fully integrated with FoldX

LoopX
Protein Loop Structure Prediction Algorithm

PepX
Peptide Docking Algorithm
The FoldX Suite is available through academic and commercial licenses. Click on the boxes to obtain more information about them. We also offer Consulting Services tailored to our customer’s needs.
The FoldX Suite builds on the strong fundament of advanced protein design features, already implemented in the successful FoldX3, and exploits the power of fragment libraries, by integrating in silico digested backbone protein fragments of different lengths. Such fragment-based strategy allows for new powerful capabilities: loop reconstruction, implemented in LoopX and peptide docking, implemented in PepX. The Suite also features an improved usability, thanks to a new boost Command Line Interface.
Main Features of the FoldX Suite
The new InterpretiX C++/Boost Command Line Interface allows:
- Unified Command Line Interface and executable to launch different modeling tools
- Unified human-readable configuration file to work with different modeling tools (no more ‘XML-like’ syntax)
- Interactive help on general and specific parameters
The new InterpretiX driver allows:
- High level programming layer, to combine different FoldX commands in a flexible and iterative way to generate complex analysis
- Parallel usage on cluster supporting the Java Sungrid Engine
InterpretiX allows encapsulation of different software packages and databases:
- LoopX and LoopXDB
- PepX and PepXDB
- YasaraPG
- More to come
LoopX allows:
- Fast and accurate prediction of protein loop structure
- Exploiting the power of Fragment libraries, by means of LoopXDB, a library of non-regular structure elements, clustered according to end-to-end distance between the regular residues flanking the loop
PepX allows:
- Fast and accurate prediction of peptide docking
- Exploiting the power of Fragment libraries, by means of BackXDB, a library of protein building blocks, and PepXDB, a library of protein-peptide binding motifs
YasaraPG:
- The Yasara plugin has been redesigned to work with the FoldX Suite
New commands:
- PSSM (Position Specific Scoring Matrices): for easy calculation of specificity matrices
- Domino (not yet integrated): for iterative PSSM based refinement
Parametrization of New molecules:
- Dioctadecyl-phosphatidylcholine parameters allows modeling of lipid bilayers
