MIRATE - MIps RATional dEsign


Artificial receptors are designed and synthesized materials able to bind a specific target molecule. One type of artificial receptors is called Molecularly Imprinted Polymers (MIPs), which has been used in molecular recognition in many applications such as sensors and assays. Molecularly Imprinting can be defined as the process of template-induced formation of specific recognition binding and/or catalytic sites in a material where the template directs the positioning and orientation of the material's structural components by a self-assembling mechanism.



MIRATE Platform provides:

The functional monomer selection and the screening of "virtually imprinted receptors" for rebinding of the molecular template by optimization of three established docking protocols.

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A stoichiometric refinement step to calculate the ideal monomer/template stoichiometric ratio by using a novel molecular dynamics method.

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Both support parametrisation of the input molecules (template/virtually imprinted receptor and functional monomers) with state of the art approaches.