We wish to thank the EPSRC for support under grants GR/S80103, GR/S80127, and EP/F055471/1, and Martyn Foster (Cray Research Ltd) and Ilian Todorov (Daresbury Laboratory) for help in adapting codes to HECToR. All authors contributed equally to this work.
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Communication
Structural Control of Crystal Nuclei by an Eggshell Protein†
Article first published online: 10 JUN 2010
DOI: 10.1002/anie.201000679
Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Freeman, Colin L., Harding, John H., Quigley, D. and Rodger, P. Mark. (2010), Structural Control of Crystal Nuclei by an Eggshell Protein. Angew. Chem. Int. Ed., 49: 5135–5137. doi: 10.1002/anie.201000679
- †
Publication History
- Issue published online: 7 JUL 2010
- Article first published online: 10 JUN 2010
- Manuscript Received: 4 FEB 2010
Funded by
- EPSRC. Grant Numbers: GR/S80103, GR/S80127, EP/F055471/1
Keywords:
- biomineralization;
- crystal growth;
- molecular dynamics;
- nanoparticles
Growing a good egg: Metadynamics simulations show that the eggshell protein ovocleidin-17 induces the formation of calcite crystals from amorphous calcium carbonate nanoparticles. Multiple spontaneous crystallization and amorphization events were simulated; these simulations suggest a catalytic cycle that explains the role of ovocleidin-17 in the first stages of eggshell formation (the picture shows one intermediate of this cycle).