Analyzing and modelling thermodynamics; the key to lectin engineering

ADAM, Jan, Zdeněk KŘÍŽ, Martin PROKOP, Michaela WIMMEROVÁ and Jaroslav KOČA. Analyzing and modelling thermodynamics; the key to lectin engineering. In Cukrblik 2009. Brno: Masarykova Univerzita, 2009, p. 11. ISBN 978-80-210-4831-7.

Basic information

• Original name: Analyzing and modelling thermodynamics; the key to lectin engineering
• Name in Czech: Analyzing and modelling thermodynamics; the key to lectin engineering
• Authors: ADAM, Jan, Zdeněk KŘÍŽ, Martin PROKOP, Michaela WIMMEROVÁ and Jaroslav KOČA.
• Edition: Brno, Cukrblik 2009, p. 11-11, 2009.
• Publisher: Masarykova Univerzita

Other information

• Original language: English
• Type of outcome: Proceedings paper
• Field of Study: 10600 1.6 Biological sciences
• Country of publisher: Czech Republic
• Confidentiality degree: is not subject to a state or trade secret
• Organization unit: Faculty of Science
• ISBN: 978-80-210-4831-7
• Keywords (in Czech): lektiny; dokování; výpočetní chemie; termodynamika
• Keywords in English: lectins; docking; computational chemistry; thermodynamics
• Tags: calorimetry, computational chemistry, in silico mutagenesis, Thermodynamics, Triton

Abstract

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.

Abstract (in Czech)

Termodynamika je hnaci silou veskerych chemickych procesu. Vyuzitim pokrocilych instrumentalnich metod je mozno ziskat informace o termodynamice i kinetice biomolekularnich interakci, napriklad tech, ktere se podileji na zprostredkovavani interakce hostitele s patogenem, a techto znalosti vyuzit k jejich ovlivneni kyzenym smerem. Vypocetni chemie pak nabizi radu moznosti, jak termodynamicke chovani systemu modelovat in silico a usetrit tak experimentalni cas prostrednictvim in silico identifikace smeru, kterym by se mely zmeny ubirat.

Links

• LC06030, research and development project: Name: Biomolekulární centrum

Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular centre

• MSM0021622413, plan (intention): Name: Proteiny v metabolismu a při interakci organismů s prostředím

Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment