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A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale
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 t...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384748/ https://www.ncbi.nlm.nih.gov/pubmed/30720751 http://dx.doi.org/10.3390/ma12030479 |
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author | Bolos, Vicente J. Benitez, Rafael Eleta-Lopez, Aitziber Toca-Herrera, Jose L. |
author_facet | Bolos, Vicente J. Benitez, Rafael Eleta-Lopez, Aitziber Toca-Herrera, Jose L. |
author_sort | Bolos, Vicente J. |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-6384748 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-63847482019-02-23 A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale Bolos, Vicente J. Benitez, Rafael Eleta-Lopez, Aitziber Toca-Herrera, Jose L. Materials (Basel) Article 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. MDPI 2019-02-04 /pmc/articles/PMC6384748/ /pubmed/30720751 http://dx.doi.org/10.3390/ma12030479 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Bolos, Vicente J. Benitez, Rafael Eleta-Lopez, Aitziber Toca-Herrera, Jose L. A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale |
title | A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale |
title_full | A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale |
title_fullStr | A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale |
title_full_unstemmed | A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale |
title_short | A Probabilistic Model for Crystal Growth Applied to Protein Deposition at the Microscale |
title_sort | probabilistic model for crystal growth applied to protein deposition at the microscale |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384748/ https://www.ncbi.nlm.nih.gov/pubmed/30720751 http://dx.doi.org/10.3390/ma12030479 |
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