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rdf:type
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Description
| - Simulace molekulární dynamiky za normální i zvýšené teploty byla použita ke studiu přizpůsobivosti a možnosti změny tvaru tří mikrosomálních cytochromů P450 : CYP 3A4, 2C9 a 2A6. Data vycházející z měření pomocí rentgenových paprsků mohou být zavádějící.Tvářnost těchto studovaných enzymů souvisí s jejich substrátovou specifitou. CYP2A6 je nejstabilnější a má nejužší rozsah substrátů, CYP 3A4 je znám jako nejrůznorodější a substrátová specifita a změna tvaru CYP2C9 se pohybuje mezi těmito cytochromy. (cs)
- Molecular dynamics (MD) simulations at normal and high temperature were used to study the flexibility and malleability of three microsomal cytochromes P450 (CYPs): CYP3A4, CYP2C9, and CYP2A6. Comparison of B-factors (describing the atomic fluctuations) between X-ray and MD data shows that the X-ray B-factors are significantly lower in the regions where the crystal contacts occur than for other regions. Consequently, the conclusions about CYP flexibility based solely on the X-ray data might be misleading. Comparison of flexibility patterns of the three CYPs enabled common features and variations in flexibility and malleability of the studied CYPs to be identified. The previously described pattern of flexibility in topological elements of microsomal CYPs (a rigid heme binding core, a malleable distal side and intermediately flexible proximal side) was confirmed. These topological features provide an important combination of high stereo- and regio-specificity (mediated by the relative rigidity in the nei
- Molecular dynamics (MD) simulations at normal and high temperature were used to study the flexibility and malleability of three microsomal cytochromes P450 (CYPs): CYP3A4, CYP2C9, and CYP2A6. Comparison of B-factors (describing the atomic fluctuations) between X-ray and MD data shows that the X-ray B-factors are significantly lower in the regions where the crystal contacts occur than for other regions. Consequently, the conclusions about CYP flexibility based solely on the X-ray data might be misleading. Comparison of flexibility patterns of the three CYPs enabled common features and variations in flexibility and malleability of the studied CYPs to be identified. The previously described pattern of flexibility in topological elements of microsomal CYPs (a rigid heme binding core, a malleable distal side and intermediately flexible proximal side) was confirmed. These topological features provide an important combination of high stereo- and regio-specificity (mediated by the relative rigidity in the nei (en)
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Title
| - Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlete with Their Substrate Preferences
- Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlete with Their Substrate Preferences (en)
- Flexibilita lidských cytochromů P450: Molekulární dynamika objevuje rozdíly mezi CYP 3A4, 2C9 a 2A6 , které souvisí s volbou jejich substrátu (cs)
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skos:prefLabel
| - Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlete with Their Substrate Preferences
- Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlete with Their Substrate Preferences (en)
- Flexibilita lidských cytochromů P450: Molekulární dynamika objevuje rozdíly mezi CYP 3A4, 2C9 a 2A6 , které souvisí s volbou jejich substrátu (cs)
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skos:notation
| - RIV/61989592:15110/08:00007585!RIV09-MSM-15110___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(1P05OC050), P(LC512), Z(MSM6198959216)
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http://linked.open...iv/cisloPeriodika
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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/61989592:15110/08:00007585
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - P450; CYPs 3A4; 2C9; 2A6; flexibility (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Journal of Physical Chemistry B
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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...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Otyepka, Michal
- Anzenbacher, Pavel
- Skopalík, J.
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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://localhost/t...ganizacniJednotka
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is http://linked.open...avai/riv/vysledek
of | - Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlete with Their Substrate Preferences
- Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlete with Their Substrate Preferences
- Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlete with Their Substrate Preferences
- Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlete with Their Substrate Preferences
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