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rdf:type
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Description
| - Prvni MD simulace na LgtC (cs)
- First molecular dynamics (MD) simulations, performed on complex LgtC with manganese ion and donor substrate (UDP-Gal), were recently reported [3]. Since the amino acid sequence in the crystal structure is shorter than that in natural enzyme (29 residues in C-terminal domain missing), the artificial carboxyl group on C-terminal (Leu282) was considered in that study. In this work, we have run several MD simulations of systems with blocked (electro-neutral Nmethylamide.) and native Leu282 and have compared the results. We have also focused our attention on analysis of behavior of this enzyme under physiological and non-physiological conditions during the MD simulations. Even if physiological conditions (0.1 M NaCl) are more natural for proteins, they are not frequently used in computational methods as the presence of relatively high concentration of ions may cause problems. We will show differences in behaviour of the protein with blocked and native C-terminal carboxyl group, and of system under physiolo
- First molecular dynamics (MD) simulations, performed on complex LgtC with manganese ion and donor substrate (UDP-Gal), were recently reported [3]. Since the amino acid sequence in the crystal structure is shorter than that in natural enzyme (29 residues in C-terminal domain missing), the artificial carboxyl group on C-terminal (Leu282) was considered in that study. In this work, we have run several MD simulations of systems with blocked (electro-neutral Nmethylamide.) and native Leu282 and have compared the results. We have also focused our attention on analysis of behavior of this enzyme under physiological and non-physiological conditions during the MD simulations. Even if physiological conditions (0.1 M NaCl) are more natural for proteins, they are not frequently used in computational methods as the presence of relatively high concentration of ions may cause problems. We will show differences in behaviour of the protein with blocked and native C-terminal carboxyl group, and of system under physiolo (en)
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Title
| - Glycosyltransferasa LgtC: MD Simulace
- Glycosyltransferasa LgtC: MD Simulace (en)
- Glycosyltransferase LgtC: MD Simulations under Physiological and Non-physiological Conditions (cs)
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skos:prefLabel
| - Glycosyltransferasa LgtC: MD Simulace
- Glycosyltransferasa LgtC: MD Simulace (en)
- Glycosyltransferase LgtC: MD Simulations under Physiological and Non-physiological Conditions (cs)
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skos:notation
| - RIV/00216224:14310/04:00010546!RIV/2005/MSM/143105/N
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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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/00216224:14310/04:00010546
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - Molecular dynamics,galactosyltransferase,physiological conditions (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
| - 22nd International Carbohydrate Symposium
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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
| - Imberty, Anne
- Koča, Jaroslav
- Kulhánek, Petr
- Šnajdrová, Lenka
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http://linked.open...vavai/riv/typAkce
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http://linked.open.../riv/zahajeniAkce
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number of pages
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http://purl.org/ne...btex#hasPublisher
| - International Carbohydrate Organisation
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http://localhost/t...ganizacniJednotka
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