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. Author manuscript; available in PMC: 2022 Jul 25.
Published in final edited form as: Acc Chem Res. 2017 Feb 13;50(4):866–876. doi: 10.1021/acs.accounts.6b00616

Figure 1.

Figure 1.

Synergetic integration of genetic engineering, polymer processing, multi-scale modeling, and functional assessment towards the de novo design of new functional biomaterials. (A) General bio-synthesis scheme of genetically engineered proteins using recombinant DNA technology, and common polymer processing methods of protein-based biomaterials using chemical/physical crosslinking approaches and shear flow spinning process. (B) Multi-scale modeling, illustrated by coarse-grained simulation and replica exchange molecular dynamics modeling, bridges the gap between molecular design, processing conditions and target macroscopic physical properties. (C) Assessment of functions provide a feedback loop to revise the simulation models during the iteration. Adapted with permission from ref. 11, 24, 26, and 27. Copyright 2015 Nature Publishing Group, 2011 American Chemical Society, 2016 WILEY-VCH, and 2016 American Chemical Society.