Prediction of affinity and kinetics in biomolecular interactions by affinity chromatography

Computer simulation of affinity chromatography is a valuable tool for accur ate prediction of column performance. In our study affinity pairs based on lectin and antibody interactions with carbohydrates have been used as model systems. In this well-characterized system we have demonstrated the useful ness of the simulation approach for determination of affinity and kinetics. These properties are typically difficult to obtain for many weakly interac ting molecular species (i.e., when dissociation constants (KD) are greater than 10(-5) M). The influence of affinity and kinetics on peak broadening i n affinity chromatography has also been investigated. (C) 2001 Academic Pre ss.