. . . . . "1"^^ . "Mishra, Navnit Kumar" . "Lectins are proteins of nonimmune origin that non-enzymatically selectively bind to mono or oligosaccharides. Multifarious activity of carbohydrates in biophysiological pathway, such as immune activity, tumor metastasis, cell-cell recognition, bacterial pathogenecity, open an avenue for the lectin-carbohydrate interaction research, which is also a big challenge for theoretical modeling due to the polar flexible saccharide moiety. One of the lectins, PA-IIL that produced by Pseudomonas aeruginosa, which play significant role in cystic fibrosis disease, motivated our study on PA-IIL-carbohydrate interactions. The structure can provide a static view of the macromolecules, but for the full understanding of protein-ligand interactions it is necessary to know all the accessible spatial orientations of the ligand in the receptor binding pocket. It is often seen that the binding energy calculated over the sampled structure by molecular dynamics could give the insight of the interactions between protein and li"@cs . "1211-5894" . "414622" . . "Lectins are proteins of nonimmune origin that non-enzymatically selectively bind to mono or oligosaccharides. Multifarious activity of carbohydrates in biophysiological pathway, such as immune activity, tumor metastasis, cell-cell recognition, bacterial pathogenecity, open an avenue for the lectin-carbohydrate interaction research, which is also a big challenge for theoretical modeling due to the polar flexible saccharide moiety. One of the lectins, PA-IIL that produced by Pseudomonas aeruginosa, which play significant role in cystic fibrosis disease, motivated our study on PA-IIL-carbohydrate interactions. The structure can provide a static view of the macromolecules, but for the full understanding of protein-ligand interactions it is necessary to know all the accessible spatial orientations of the ligand in the receptor binding pocket. It is often seen that the binding energy calculated over the sampled structure by molecular dynamics could give the insight of the interactions between protein and li" . . . "Mishra, Navnit Kumar" . "2007-03-30+02:00"^^ . "Computational Studies on PA-IIL Lectin-Carbohydrate Interactions" . "Computational Studies on PA-IIL Lectin-Carbohydrate Interactions"@cs . . . "14310" . . "Computational studies; Molecular modeling; Interaction energy calculation"@en . . "5"^^ . "Lectins are proteins of nonimmune origin that non-enzymatically selectively bind to mono or oligosaccharides. Multifarious activity of carbohydrates in biophysiological pathway, such as immune activity, tumor metastasis, cell-cell recognition, bacterial pathogenecity, open an avenue for the lectin-carbohydrate interaction research, which is also a big challenge for theoretical modeling due to the polar flexible saccharide moiety. One of the lectins, PA-IIL that produced by Pseudomonas aeruginosa, which play significant role in cystic fibrosis disease, motivated our study on PA-IIL-carbohydrate interactions. The structure can provide a static view of the macromolecules, but for the full understanding of protein-ligand interactions it is necessary to know all the accessible spatial orientations of the ligand in the receptor binding pocket. It is often seen that the binding energy calculated over the sampled structure by molecular dynamics could give the insight of the interactions between protein and li"@en . "Computational Studies on PA-IIL Lectin-Carbohydrate Interactions" . . . "\u010Cesk\u00E1 a slovensk\u00E1 krystalografick\u00E1 spole\u010Dnost" . . "Computational Studies on PA-IIL Lectin-Carbohydrate Interactions"@en . "In Materials Structure in Chemistry, Biology, Physics and Technology. Praha : \u010Cesk\u00E1 a slovensk\u00E1 krystalografick\u00E1 spole\u010Dnost" . . "P(GD204/03/H016)" . "[C908BC64952F]" . "RIV/00216224:14310/07:00020642!RIV09-GA0-14310___" . . "Ko\u010Da, Jaroslav" . "RIV/00216224:14310/07:00020642" . "Computational Studies on PA-IIL Lectin-Carbohydrate Interactions"@cs . "4"^^ . "Kriz, Zdenek" . . "Nove Hrady, Czech Republic" . "Nove Hrady, Czech Republic" . "Wimmerov\u00E1, Michaela" . "Kulh\u00E1nek, Petr" . "Computational Studies on PA-IIL Lectin-Carbohydrate Interactions"@en .