Chemical and Biological Systems Optimization Lab.


OptZyme (2013): Enzyme redesign through the use of transition state analogues

OptZyme is used to redesign enzymes with optimized catalytic properties after identifying the relevant substrates and transition state analogues. Transition state analogue compounds are used as a substitute for typically unknown transition state structures. Optimized enzyme mutants are identified using our IPRO procedure. Restraints can be imposed to retain catalytic functionality.

The code is freely available for academic users.

Before downloading our software. We ask for your name and institution so we may better design future versions of our software.

Note: The Costas Maranas Research group is not responsible if a program you download from this website does not work as expected.

Every consideration has been made during the design, writing, and posting of this code to ensure the program works properly.


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