ERC Starting Grant · 2022
Peptide-based Supramolecular Co-assembly Design: Multiscale Machine Learning Modeling Approach
Supramolecular self-assembly is a fundamental process abundantly utilized by nature and emerging functional materials technologies ranging from drug delivery to soft semiconductor devices. Recently, an increased focus has been placed on the multicomponent peptide co-assembly as they often display unique emergent properties that can dramatically expand the functional utility of peptide-based materials. Still, the full potential is hindered by the combinatorial complexity of peptide-based materials and our inability to predict the co-assembled structures and, therefore, properties and functionality. Machine Learning models built on top of Molecular Dynamics simulations are ideally suited to…
From the public funding record at EU CORDIS. Describes the funded project, not the reviews below.