D 2009

Analyzing and modelling thermodynamics; the key to lectin engineering

ADAM, Jan, Zdeněk KŘÍŽ, Martin PROKOP, Michaela WIMMEROVÁ, Jaroslav KOČA et. al.

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

Language

English

Type of outcome

Stať ve sborníku

Field of Study

10600 1.6 Biological sciences

Country of publisher

Czech Republic

Confidentiality degree

není předmětem státního či obchodního tajemství

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
Změněno: 9/4/2010 09:11, prof. RNDr. Michaela Wimmerová, Ph.D.

Abstract

V originále

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.

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