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rdf:type
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Description
| - Lectin-saccharide interaction is a major player in the process of cell recognition. The study is focused on bacterial lectins responsible for virulence of the source bacteria, and developing a reliable in silico method capable of predicting the changes in binding behaviour, identifying promising directions leading to desired preference changes, reducing the time and cost related to performing the task in vitro. In silico mutagenesis (MODELLER/TRITON) was used to create mutant files and molecular docking (AUTODOCK/TRITON, DOCK/Chimera) to find the best binding orientations of lectins and saccharides. Molecular dynamics using AMBER software package was used to simulate physiological conditions more precisely, to further optimize the results and to evaluate the energetic properties. A comparison of experimental and computed values proved that the in silico method is able to correctly model the interaction and the preference changes in regard to mutations in the binding site.
- Lectin-saccharide interaction is a major player in the process of cell recognition. The study is focused on bacterial lectins responsible for virulence of the source bacteria, and developing a reliable in silico method capable of predicting the changes in binding behaviour, identifying promising directions leading to desired preference changes, reducing the time and cost related to performing the task in vitro. In silico mutagenesis (MODELLER/TRITON) was used to create mutant files and molecular docking (AUTODOCK/TRITON, DOCK/Chimera) to find the best binding orientations of lectins and saccharides. Molecular dynamics using AMBER software package was used to simulate physiological conditions more precisely, to further optimize the results and to evaluate the energetic properties. A comparison of experimental and computed values proved that the in silico method is able to correctly model the interaction and the preference changes in regard to mutations in the binding site. (en)
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Title
| - DECIPHERING THE SUGAR PREFERENCE RULES - COMPUTER-ASSISTED PROTEIN ENGINEERING OF BACTERIAL LECTIN PA-IIL
- DECIPHERING THE SUGAR PREFERENCE RULES - COMPUTER-ASSISTED PROTEIN ENGINEERING OF BACTERIAL LECTIN PA-IIL (en)
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skos:prefLabel
| - DECIPHERING THE SUGAR PREFERENCE RULES - COMPUTER-ASSISTED PROTEIN ENGINEERING OF BACTERIAL LECTIN PA-IIL
- DECIPHERING THE SUGAR PREFERENCE RULES - COMPUTER-ASSISTED PROTEIN ENGINEERING OF BACTERIAL LECTIN PA-IIL (en)
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skos:notation
| - RIV/00216224:14310/08:00025002!RIV10-MSM-14310___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GA303/06/0570), P(LC06030), Z(MSM0021622413)
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/00216224:14310/08:00025002
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - Lectins; computational chemistry; molecular docking; in silico mutagenesis (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...ontrolniKodProRIV
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http://linked.open...v/mistoKonaniAkce
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http://linked.open...i/riv/mistoVydani
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http://linked.open...i/riv/nazevZdroje
| - 33rd FEBS Congress and 11th IUBMB Conference
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...iv/tvurceVysledku
| - Adam, Jan
- Koča, Jaroslav
- Wimmerová, Michaela
- Prokop, Martin
- Kříž, Zdeněk
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http://linked.open...vavai/riv/typAkce
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http://linked.open...ain/vavai/riv/wos
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http://linked.open.../riv/zahajeniAkce
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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http://purl.org/ne...btex#hasPublisher
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http://localhost/t...ganizacniJednotka
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is http://linked.open...avai/riv/vysledek
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