Tu(r)ning weakness to strength: Mechanomutable bioinspired materials
Technical Report,01 Sep 2011,31 Aug 2016
Massachusetts Institute of Technology Cambridge United States
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They used a combination of multiscale modeling and experimental synthesis to understand the behavior of this heterologous-expressed protein from the nanoscale to the macroscale. They built a bottom-up molecular-based model, which includes electronic -based density functional theory calculations, atomistic simulation of the nanoscale properties with replica exchange molecular dynamics, and an elastic network model for describing the macroscale behavior at different pHs. This multiscale modeling supports the experimental synthesis of a photo-crosslinked Nvjp-1 hydrogel by proving both the nanoscale mechanisms and mechanical behavior predictions.
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