OSPREY 2.2 / gOSPREY
OSPREY (Open Source Protein REdesign for You)is a suite of programs for computational structure-based protein design.OSPREY is specifically designed to identify protein mutants that possess desired target properties (e.g., improved stability, switch of substrate specificity, etc.). OSPREY can also be used for predicting small-molecule inhibitors. With certain limitations, the current version of OSPREY can also model protein-protein and protein-peptide interactions.
gOSPREY is the abbreviation for Open Source Protein REdesign for You on a GPU. It enables the user to utilize a GPU to accelerate the procedure of protein design in a massive parallel fashion.
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An efficient parallel algorithm for accelerating computational protein design.
Zhou Y, Xu W, Donald BR, Zeng J.
Bioinformatics. 2014 Jun 15;30(12):i255-i263. doi: 10.1093/bioinformatics/btu264.
Frey KM, Georgiev I, Donald BR, Anderson AC.
Predicting resistance mutations using protein design algorithms.
Proc Natl Acad Sci U S A. 2010 Aug 3;107(31):13707-12. Epub 2010 Jul 19. PMID: 20643959