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    Simulation of Crystallization of Biominerals

    69917.pdf (4.922Mb)
    Access Status
    Open access
    Authors
    Demichelis, Raffaella
    Schuitemaker, A.
    Garcia, N.
    Koziara, Katarzyna
    De La Pierre, Marco
    Raiteri, Paolo
    Gale, Julian
    Date
    2018
    Type
    Book
    
    Metadata
    Show full item record
    Citation
    Demichelis, R. and Schuitemaker, A. and Garcia, N. and Koziara, K. and De La Pierre, M. and Raiteri, P. and Gale, J. 2018. Simulation of Crystallization of Biominerals.
    DOI
    10.1146/annurev-matsci-070317-124327
    School
    School of Molecular and Life Sciences (MLS)
    Funding and Sponsorship
    http://purl.org/au-research/grants/arc/FT130100463
    URI
    http://hdl.handle.net/20.500.11937/69705
    Collection
    • Curtin Research Publications
    Abstract

    © Copyright 2018 by Annual Reviews. All rights reserved. Biominerals are crucial materials that play a vital role in many forms of life. Understanding the various steps through which ions in aqueous environment associate to form increasingly structured particles that eventually transform into the final crystalline or amorphous poly(a)morph in the presence of biologically active molecules is therefore of great significance. In this context, computer modeling is now able to provide an accurate atomistic picture of the dynamics and thermodynamics of possible association events in solution, as well as to make predictions as to particle stability and possible alternative nucleation pathways, as a complement to experiment. This review provides a general overview of the most significant computational methods and of their achievements in this field, with a focus on calcium carbonate as the most abundant biomineral.

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