OptZyme specifications


Unique identifier OMICS_16109
Name OptZyme
Software type Package/Module
Interface Command line interface
Restrictions to use Academic or non-commercial use
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes


No version available


  • person_outline Costas Maranas

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Publication for OptZyme

OptZyme citation


Computational tools for the evaluation of laboratory engineered biocatalysts

PMCID: 5310519
PMID: 27812570
DOI: 10.1039/c6cc06055b

[…] d to overcome some of the Rosetta sampling limitations, and MD is highly complementary to the Rosetta refinement., Other strategies have been reported in the literature for the (re)design of enzymes. OptZyme by Maranas and coworkers makes use of Transition State Analogues (TSA) to find active site mutations that minimize the interaction energy of the enzyme with TSA, rather than its substrate. Don […]

OptZyme institution(s)
Department of Chemical Engineering, The Pennsylvania State University, University Park, PA, USA; Department of Chemical and Biomolecular Engineering, The University of Houston, Houston, TX, USA
OptZyme funding source(s)
This work was supported by the National Science Foundation grant: CBET-0967062.

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