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Development of accurate force fields for the simulation of biomineralization

Paolo Raiteri1, Raffaella Demichelis, Julian D Gale

  • 1Department of Chemistry, Nanochemistry Research Institute, Curtin University, GPO Box U1987, Perth, Western Australia, Australia.

Methods in Enzymology
|November 6, 2013
PubMed

Keywords:
Calcium carbonateForce fieldsFree energiesIon pairingMolecular dynamicsSimulationSolvationWater models

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