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The theoretical study and modeling of biomolecular crystallization are a complex area that often combines physical chemistry, statistical mechanics, and computational modeling. The choice of the best method depends on the specific aspect of crystallization of interest, such as nucleation, growth, or stability, as well as predicting how biomolecules, such as proteins, DNA, or complex macromolecules, might form ordered structures. In this chapter, we will review some widely used theoretical approaches in the field.

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Numerical and Analytical Methodologies

  • 章节

  • 发表日期：

    2026年

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  • Tomaž Urbič,
  • Igor Plazl

摘要

The theoretical study and modeling of biomolecular crystallization are a complex area that often combines physical chemistry, statistical mechanics, and computational modeling. The choice of the best method depends on the specific aspect of crystallization of interest, such as nucleation, growth, or stability, as well as predicting how biomolecules, such as proteins, DNA, or complex macromolecules, might form ordered structures. In this chapter, we will review some widely used theoretical approaches in the field.