Mesoscopic Model for Mechanical Characterization of Biological Protein Materials
- Mesoscopic Model for Mechanical Characterization of Biological Protein Materials
- 윤권찬; 박형진; 나성구; 엄길호
- mechanical property; protein crystal; Go model; virial stress; Young’s modulus
- Issue Date
- Journal of computational chemistry
- VOL 30, NO 6, 873-880
- Mechanical characterization of protein molecules has played a role on gaining insight into the biological
functions of proteins, because some proteins perform the mechanical function. Here, we present the mesoscopic
model of biological protein materials composed of protein crystals prescribed by Go potential for characterization of
elastic behavior of protein materials. Specifically, we consider the representative volume element (RVE) containing
the protein crystals represented by Cα atoms, prescribed by Go potential, with application of constant normal strain
to RVE. The stress–strain relationship computed from virial stress theory provides the nonlinear elastic behavior of
protein materials and their mechanical properties such as Young’s modulus, quantitatively and/or qualitatively comparable
with mechanical properties of biological protein materials obtained from experiments and/or atomistic simulations.
Further, we discuss the role of native topology on the mechanical properties of protein crystals. It is shown
that parallel strands (hydrogen bonds in parallel) enhance the mechanical resilience of protein materials.
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