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multi state protein design

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multi state protein design


I have an enzyme and I want to optimize its sequence to increase its binding to one protein and decrease its binding to another protein at the same time. I recently attended Rosetta workshop and learn about multi state protein design which can be used to increase affinity of an antibody to its ensemble of antigen, but I am not sure whethe it is applicable to my case. I would appreciate any suggestions.

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Fri, 2020-09-04 08:14

Rosetta has at least two multistate design tools.

mpi_msd ( ( will definitely work for this purpose.  You can set up explicitly negative states for the decreased binding desired.

RECON probably will as well.

Fri, 2020-09-04 11:25

RECON currently does not handle negative design. It will only work with systems where you're attempting to improve the energy of all states.

Tue, 2021-02-09 13:45