Rapid communication: Computational simulation and analysis of a candidate for the design of a novel silk-based biopolymer.
This work theoretically investigates the mechanical properties of a novel silk-derived biopolymer as polymerized in silico from sericin and elastin-like monomers. Molecular Dynamics simulations and Steered Molecular Dynamics were the principal computational methods used, the latter of which applies an external force onto the system and thereby enables an observation of its response to stress. The models explored herein are single-molecule approximations, and primarily serve as tools in a rational design process for the preliminary assessment of properties in a new material candidate.
Department of Chemistry, University of Gdańsk, Ul. Wita Stwosza 63, 80-308, Gdańsk, Poland.
Ewa I
EI
Golas
Cezary
C
Czaplewski
D001704:Biopolymers / Q000737:chemistry*; D003198:Computer Simulation; D008422:Materials Testing / Q000379:methods*; D047030:Sericins / Q000737:chemistry*
D001704:Biopolymers; D047030:Sericins
biopolymer; computational; sericin; silk; steered molecular dynamics