SPRINT: Side-chain prediction inference toolbox for multistate protein design

Menachem Fromer*, Chen Yanover, Amir Harel, Ori Shachar, Yair Weiss, Michal Linial

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

11 Scopus citations

Abstract

Summary: SPRINT is a software package that performs computational multistate protein design using state-of-the-art inference on probabilistic graphical models. The input to SPRINT is a list of protein structures, the rotamers modeled for each structure and the pre-calculated rotamer energies. Probabilistic inference is performed using the belief propagation or A* algorithms, and dead-end elimination can be applied as pre-processing. The output can either be a list of amino acid sequences simultaneously compatible with these structures, or probabilistic amino acid profiles compatible with the structures. In addition, higher order (e.g. pairwise) amino acid probabilities can also be predicted. Finally, SPRINT also has a module for protein side-chain prediction and single-state design.

Original languageEnglish
Article numberbtq445
Pages (from-to)2466-2467
Number of pages2
JournalBioinformatics
Volume26
Issue number19
DOIs
StatePublished - 4 Aug 2010

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