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

• 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
• 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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