A computer simulation approach was developed to screen functional monomers for the rational design of molecularly imprinted polymers (MIPs). The proposed approach is based on a comparison of the binding energy of complexes, which are formed by the interaction between a template molecule and various functional monomers. According to the results of theoretical calculations, MIPs using thymopentin (TP5) as a template were prepared by a solution polymerization method, in which 2-methylacrylamide, N,N′-methylenebisacrylamide and poly(methylacrylic ...
