ICCM Conferences, The 8th International Conference on Computational Methods (ICCM2017)

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Young's modulus determination of the collagen molecule via steered molecular dynamics simulations
haibin ge

Last modified: 2017-07-01

Abstract


Abstract

Articular cartilage is a special kind of connective tissue and unique zonal architecture. In the different layers of cartilage, the functions of collagen fiber cannot be ignored. The mechanical properties of the cartilage directly related to its microstructure, and depended on the function of collagen fibers to some extent. The purpose of this paper is to use GROMACS 2016 and steered molecular dynamics (SMD) simulation method to directly measure the Young's modulus of collagen molecule. And under the condition of stretching rate of v=0.01 , we obtained the Young's modulus of collagen molecule is 6.1 0.3 .


Keywords


Articular cartilage, Collagen molecule, GROMACS 2016, Steered Molecular Dynamics

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