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

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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