Molecular dynamic simulation of prenucleation of apatite at a type I collagen template: ion association and mineralization control
Zhiyu Xue, Xin Wang, Dingguo Xu
Abstract
. Our free energy simulations attributed these phenomena to relative differences in binding thermostability and ion association kinetics. Our simulations provide a theoretical approach toward the effective control of collagen mineralization and the preparation of novel biomaterials.
Topics & Concepts
BiomineralizationApatiteNucleationSimulated body fluidChemistryMineralization (soil science)CalciumPhosphateBiophysicsKineticsMolecular dynamicsIonChemical engineeringBiochemistryMineralogyComputational chemistryBiologyOrganic chemistryEngineeringQuantum mechanicsPhysicsNitrogenCollagen: Extraction and CharacterizationBone Tissue Engineering MaterialsCalcium Carbonate Crystallization and Inhibition