A Probabilistic Model for Crystal Growth Applied toProtein Deposition at the Microscale
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Updated: Jan 29, 2026

Optimization of Crystal Growth for Neutron Macromolecular Crystallography
Published on: March 13, 2021
Vicente J Bolos1, Rafael Benitez2, Aitziber Eleta-Lopez3
1Department Matemáticas para la Economía y la Empresa, Facultad de Economía, Universidad de Valencia,Avda. Tarongers s/n, 46022 Valencia, Spain. vicente.bolos@uv.es.
Abstract:
A probabilistic discrete model for 2D protein crystal growth is presented. This model takesinto account the available space and can describe growing processes of a different nature due to theversatility of its parameters, which gives the model great flexibility. The accuracy of the simulation istested against a real recrystallization experiment, carried out with the bacterial protein SbpA fromLysinibacillus sphaericus CCM2177, showing high agreement between the proposed model and theactual 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.
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