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dc.contributor.authorDemichelis, Raffaella
dc.contributor.authorSchuitemaker, A.
dc.contributor.authorGarcia, N.
dc.contributor.authorKoziara, Katarzyna
dc.contributor.authorDe La Pierre, Marco
dc.contributor.authorRaiteri, Paolo
dc.contributor.authorGale, Julian
dc.date.accessioned2018-08-08T04:41:58Z
dc.date.available2018-08-08T04:41:58Z
dc.date.created2018-08-08T03:50:47Z
dc.date.issued2018
dc.identifier.citationDemichelis, 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.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/69705
dc.identifier.doi10.1146/annurev-matsci-070317-124327
dc.description.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.

dc.description.sponsorship
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/FT130100463
dc.titleSimulation of Crystallization of Biominerals
dc.typeBook
dcterms.source.volume48
dcterms.source.startPage327
dcterms.source.endPage352
curtin.departmentSchool of Molecular and Life Sciences (MLS)
curtin.accessStatusOpen access


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