Publication details

Analyzing and modelling thermodynamics; the key to lectin engineering


ADAM Jan KŘÍŽ Zdeněk PROKOP Martin WIMMEROVÁ Michaela KOČA Jaroslav

Year of publication 2009
Type Article in Proceedings
Conference Cukrblik 2009
MU Faculty or unit

Faculty of Science

Field Biochemistry
Keywords lectins; docking; computational chemistry; thermodynamics
Description Thermodynamics is a basic driving force of all chemical processes, including those in the biomolecular chemistry. Not a single process can disobey its fundamental rules. The lectin-saccharide interaction is no exception, and as such, the understanding of the principles determining its behaviour greatly helps to elucidate the rules of the lectin-saccharide mediated processes in the nature, and, of course, also the ways of modifying them in the desired ways. Characterizing the thermodynamic behaviour of the molecules is nowadays a quite achievable feat, thanks to development on the instrumental field. Isothermal titration calorimeters requiring only small amounts of protein to provide thermodynamics information and coupled with surface plasmon resonance, a potent mean of kinetics analysis, obtaining a detailed image of the interaction becomes quite easily available. Moreover, the current computational capacity allows to perform sophisticated simulations and modelling of the biomolecular interactions.
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