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Materials 2019, 12(3), 479; https://doi.org/10.3390/ma12030479

A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale

1
Department Matemáticas para la Economía y la Empresa, Facultad de Economía, Universidad de Valencia, Avda. Tarongers s/n, 46022 Valencia, Spain
2
Self-Assembly Group, CIC nanoGUNE, Tolosa Hiribidea 76, 20018 Donostia/San Sebastián, Spain
3
Department of Nanobiotechnology, Institute of Biophysics, University of Natural Resources and Life Sciences (BOKU-Wien), Muthgasse 11, 1190 Vienna, Austria
*
Authors to whom correspondence should be addressed.
Received: 11 December 2018 / Revised: 15 January 2019 / Accepted: 30 January 2019 / Published: 4 February 2019
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Abstract

A probabilistic discrete model for 2D protein crystal growth is presented. This model takes into account the available space and can describe growing processes of a different nature due to the versatility of its parameters, which gives the model great flexibility. The accuracy of the simulation is tested against a real recrystallization experiment, carried out with the bacterial protein SbpA from Lysinibacillus sphaericus CCM2177, showing high agreement between the proposed model and the actual images of the crystal growth. Finally, it is also discussed how the regularity of the interface (i.e., the curve that separates the crystal from the substrate) affects the evolution of the simulation. View Full-Text
Keywords: 2D crystal growth; protein crystal nucleation; probabilistic growth model 2D crystal growth; protein crystal nucleation; probabilistic growth model
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Bolos, V.J.; Benitez, R.; Eleta-Lopez, A.; Toca-Herrera, J.L. A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale. Materials 2019, 12, 479.

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