IRECS: Difference between revisions
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Download URL: [[ | Download URL: [[https://irecs.bioinf.mpi-inf.mpg.de/ 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. [ | 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. [https://www.ncbi.nlm.nih.gov/sites/entrez?cmd=retrieve&db=pubmed&list_uids=17567749&dopt=AbstractPlus PubMed] | ||
[[Category:Tools]] | [[Category:Tools]] | ||
Latest revision as of 01:19, 24 May 2024
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