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.
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