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MIRATE - the MIPS Rational Design Science Gateway
A do-it-yourself online molecular modelling gateway for the selection of functional monomers and refinement of the stoichiometry of the template:monomer ratios.
A paper recently published online in the Journal of Integrative Bioinformatics
by Busato et al
. (DOI: 10.1515/jib-2017-0075
) describes a new open access online resource for the virtual design and refinement of molecularly imprinted polymer binding sites. The paper, from authors at the Universities of Verona (Italy), Coruņa (Spain) and Leicester (UK) describes the workflow and validation of the results for several templates, including a number of peptide 'epitopes' for important protein targets and small molecules, including bisphenol A and melamine.
The structure of templates and monomers can be uploaded using a number of standard 3D molecular graphics file formats.
If anyone has tried this resource, please give a brief summary of your experiences in the comments section, below.
Posted on 19 June 2018 at 17:09:07 by Michael Whitcombe
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