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Description
  • We used Molecular Mechanics Poisson Boltzmann model in combination of normal mode analysis to elucidate the free energy of the binding and conversely its consequences on the complex conformations. Solvent analysis in the apo form lectin exhibited that the water cluster exactly fits to the key hydroxyl groups of the carbohydrate in the holo form.
  • We used Molecular Mechanics Poisson Boltzmann model in combination of normal mode analysis to elucidate the free energy of the binding and conversely its consequences on the complex conformations. Solvent analysis in the apo form lectin exhibited that the water cluster exactly fits to the key hydroxyl groups of the carbohydrate in the holo form. (en)
Title
  • Theoretical study of the lectin-carbohydrate interactions
  • Theoretical study of the lectin-carbohydrate interactions (en)
skos:prefLabel
  • Theoretical study of the lectin-carbohydrate interactions
  • Theoretical study of the lectin-carbohydrate interactions (en)
skos:notation
  • RIV/00216224:14310/08:00028052!RIV10-MSM-14310___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(MSM0021622413)
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 399830
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/08:00028052
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Lectins; computational chemistry; interaction; energy calculations (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [8A45ADE98609]
http://linked.open...v/mistoKonaniAkce
  • Athens, Greece
http://linked.open...i/riv/mistoVydani
  • Oxford (UK)
http://linked.open...i/riv/nazevZdroje
  • FEBS Journal Volume 275 Supplement 1
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Imberty, Anne
  • Koča, Jaroslav
  • Petřek, Martin
  • Wimmerová, Michaela
  • Mishra, Navnit Kumar
http://linked.open...vavai/riv/typAkce
http://linked.open...ain/vavai/riv/wos
  • 000256633301636
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
issn
  • 1742-464X
number of pages
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  • Blackwell Publishing Ltd.
http://localhost/t...ganizacniJednotka
  • 14310
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