Yoon, Gwonchan Park, Hyeong-Jin Na, Sungsoo Eom, Kilho 2024-01-20T21:32:55Z 2024-01-20T21:32:55Z 2021-09-03 2009-04-30 0192-8651 https://pubs.kist.re.kr/handle/201004/132553 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 C-alpha 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. (C) 2008 Wiley Periodicals, Inc. J Comput Chem 30: 873-880, 2009 English WILEY TITIN IMMUNOGLOBULIN DOMAINS SPIDER DRAGLINE SILK FRACTURE-MECHANICS TRANSITION-STATE ELASTICITY DYNAMICS STRENGTH MICROTUBULES SIMULATION TOPOLOGY Mesoscopic Model for Mechanical Characterization of Biological Protein Materials Article 10.1002/jcc.21107 1 JOURNAL OF COMPUTATIONAL CHEMISTRY, v.30, no.6, pp.873 - 880 JOURNAL OF COMPUTATIONAL CHEMISTRY 30 6 873 880 scie scopus 000264651200004 2-s2.0-65449162336 Chemistry, Multidisciplinary Chemistry Article TITIN IMMUNOGLOBULIN DOMAINS SPIDER DRAGLINE SILK FRACTURE-MECHANICS TRANSITION-STATE ELASTICITY DYNAMICS STRENGTH MICROTUBULES SIMULATION TOPOLOGY mechanical property protein crystal Go model virial stress Young&apos s modulus