2008/07/17 by Gwonchan Yoon, Hyung-Jin Park, Hyung‐Jin Park +6
Biochemistry, Genetics and Molecular Biology · Engineering · #Biomolecules (q-bio.BM) #Elasticity and Material Modeling #FOS: Biological sciences #q-bio.BM
paper · pdf · doi:10.48550/arxiv.0807.2698
29 pages; 7 figures; accepted for publication at Journal of Computational Chemistry
arxiv created 2008/07/17 · openalex publication_date 2008/07/17 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Mechanical characterization of protein molecules has played a role on gaining insight into the biological functions of proteins, since 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 alpha-carbon 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 to 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) enhances the mechanical resilience of protein materials.