Recognition of selected monosaccharides by Pseudomonas aeruginosa Lectin II analyzed by molecular dynamics and free energy calculations

Warning

This publication doesn't include Faculty of Sports Studies. It includes Faculty of Science. Official publication website can be found on muni.cz.

Authors	MISHRA Navnit Kumar KŘÍŽ Zdeněk WIMMEROVÁ Michaela KOČA Jaroslav
Year of publication	2010
Type	Article in Periodical
Magazine / Source	Carbohydrate Research
MU Faculty or unit	Faculty of Science
Citation
Field	Biophysics
Keywords	lectin; pathogen;molecular dynamics; energy calculation;
Description	interactions of selected monosaccharides with the Pseudomonas aeruginosa Lectin II (PA-IIL)are analyzed in detail. We have used Molecular Mechanics Poisson-Boltzmann Surface Area (MM/PBSA) and normal mode analysis to calculate the free energy of binding.
Related projects:	Proteins in metabolism and interaction of organisms with the environment Biomolecular centre Design of Carbohydrates and Glycomimetics as Antibacterial and Antiviral Drugs Lectins from human pathogens - structure, function, engineering