Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12857/116340
Title: MIRATE: MIps RATional dEsign Science Gateway
Authors: Busato, Mirko 
Distefano, Rosario 
Bates, Ferdia
Karim, Kal
Bossi, Alessandra Maria 
López Vilariño, José Manuel
Piletsky, Sergey
Bombieri, Nicola 
Giorgetti, Alejandro 
Keywords: docking;molecularly imprinted polymers;science gateway
Keywords Plus: MOLECULARLY IMPRINTED POLYMERS;SOLID-PHASE SYNTHESIS;NANOPARTICLES;SIMULATION;MELAMINE;DOCKING
Mesh headings: Hepcidins;Molecular Imprinting;Polymers;Receptors, Artificial;Troponin I
Secondary Mesh headings: Humans;Molecular Dynamics Simulation
Issue Date: 13-Jun-2018
Publisher: WALTER DE GRUYTER GMBH
Journal: Journal of integrative bioinformatics 
Abstract: 
Molecularly imprinted polymers (MIPs) are high affinity robust synthetic receptors, which can be optimally synthesized and manufactured more economically than their biological equivalents (i.e. antibody). In MIPs production, rational design based on molecular modeling is a commonly employed technique. This mostly aids in (i) virtual screening of functional monomers (FMs), (ii) optimization of monomer-template ratio, and (iii) selectivity analysis. We present MIRATE, an integrated science gateway for the intelligent design of MIPs. By combining and adapting multiple state-of-the-art bioinformatics tools into automated and innovative pipelines, MIRATE guides the user through the entire process of MIPs' design. The platform allows the user to fully customize each stage involved in the MIPs' design, with the main goal to support the synthesis in the wet-laboratory. Availability: MIRATE is freely accessible with no login requirement at http://mirate.di.univr.it/. All major browsers are supported.
URI: http://hdl.handle.net/20.500.12857/116340
ISSN: 1613-4516
DOI: 10.1515/jib-2017-0075
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