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Molecular dynamics simulation of mechanical behavior of osteopontin-hydroxyapatite interfaces
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文摘

Interfacial mechanical behavior of OPN–HA was studied using molecular dynamics.

Mechanical behavior relies on electrostatic attraction of acidic AA–calcium in HA.

Higher energy is dissipated for OPN peptide with a higher no. of acidic AA.

OPN peptide pulled in the interface direction results in higher energy dissipation.

A new mechanism of energy dissipation in bone is suggested.

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