Computational Modeling for the Rational MIP Design

The rational MIP design involves better insights to the molecular imprinting process. An in-depth understanding of the molecular level events occurring in the MIPs is modeled mathematically. The earliest attempts to describe aspects of the molecular imprinting involved physical or mathematical formalism based on thermodynamic models [Pande et al., 1997 Sergeyeva et al., 1999 Nicholls et al., 1995]. 

The rapid growth in computer power over the past decade and a concurrent development in establishing new and improved 

The computational methods are used to investigate various aspects of the molecular imprinting and polymer performance as presented in Fig. 18.3. 

1 Rational selection of monomers and porogen and characterization of template-monomer prepolymerization complex 

An important step in the polymer synthesis is the formation of prepolymerization complex between the template and a functional monomer or a number of functional monomers. The more stable 

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