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Inchemical biology andbiomolecular engineering,rational design (RD) is anumbrella term which invites the strategy of creating new molecules with a certain functionality, based upon the ability to predict how the molecule's structure (specifically derived frommotifs) will affect its behavior through physical models. This can be done either from scratch or by makingcalculated variations on a known structure, and usually complementsdirected evolution.
As an example, rational design is used to deciphercollagen stability, mapping ligand-receptor interactions, unveiling protein folding and dynamics, and creating extra-biological structures by using fluorinatedamino acids.[1] To treatcancer, rational design is used for targeted therapies where proteins are engineered to modify the communication of cells with their environment.[2] There is also the rational design of alfa-alkylauxin molecules, which are auxin analogs capable of binding and blocking the formation of thehormone receptor complex.[3]
Other applications of rational design include:
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