IRECS

Description

IRECS is a side-chain prediction tool that is able to take receptor flexibility into account. It detects flexible residues (by interaction constraints) and assigns multiple rotamers to it. IRECS uses the knowledge-based scoring function ROTA for selecting rotamers and the BBDep for sampling side-chain conformations. IRECS is available

References

Download URL: [http://irecs.bioinf.mpi-inf.mpg.de/]

Hartmann, C., Antes, I., Lengauer, T. IRECS: A new algorithm for the selection of most probable ensembles of side-chain conformations in protein models. Protein Sci. 2007 16: 1294-1307. PubMed