A research study describes a systematic high-throughput design approach for virtual screening and creation of novel polypeptide-based molecules that form regular secondary structures that can be used in biology or materials science research.
A research study led jointly by Rensselaer Polytechnic Institute's Gaetano Montelione, Ph.D., Professor and Constellation Endowed Chair of Chemistry and Chemical Biology; and David Baker, Ph.D.
"We characterized 10 newly identified dipeptide repeating structures using circular dichroism spectroscopy and comparison with their calculated spectra," said Montelione. Calculated spectra are used to predict the absorption or emission of light at specific wavelengths, which helps characterize the molecular geometries of the polymers. These 10 dipeptide repeat polymers were observed to have ordered structures as expected.
"This study offers a pathway to design new materials with a desired set of specific properties," said Curt Breneman, Ph.D., dean of RPI's School of Science."The work also contributes to our growing understanding of how to model polymer structure and stability." 'Inverse design' is a design approach that reverses the traditional design process and enables the designer to discover and create materials that possess a user-defined set of properties. ...
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