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  • Molekulární fragmenty byly umístěny do mapy elektronové hustoty tak, jak je obvyklé v programu NUT. Bylo možno použít 2 typy páteřních fragmentů: rigidní dvojitě helikální fragment pro modelování úseků A-RNA nebo DNA a flexibilní fragment RNA, který představuje mononukleotid typu fosfát-cukr-fosfát. Byly nalezeny nejpravděpodobnější konformace, vytvořen model polyribonukleotidového řetězce a modely byly dále testovány. (cs)
  • Molecular fragments are located in an electron density map by a phased rotation conformation and translation function, as implemented in the program NUT [1]. Two types of backbone fragments can be used.Arigid double helical fragment NAhelix of 90 atoms is used to locate stretches of regularA-RNA (DNA) structures. The position and orientation of the fragment can be refined. NAhelix is suitable for low-resolution structures. Typical RNA structure contains about 70% of the double-helical conformation. The second fragment is RNAbone (17 atoms), which represents mononucleotide of phosphate-sugar- phosphate type. The fragment is flexible and all backbone torsion angles can be varied during the search. For computation reasons the search is restricted by a table of allowed conformations. The most frequent conformations were determined by a conformation family generator [2] utilizing knowledge of sugar-phosphate-sugar conformation families [3]. The RNAbone is suitable for intermediate resolutio
  • Molecular fragments are located in an electron density map by a phased rotation conformation and translation function, as implemented in the program NUT [1]. Two types of backbone fragments can be used.Arigid double helical fragment NAhelix of 90 atoms is used to locate stretches of regularA-RNA (DNA) structures. The position and orientation of the fragment can be refined. NAhelix is suitable for low-resolution structures. Typical RNA structure contains about 70% of the double-helical conformation. The second fragment is RNAbone (17 atoms), which represents mononucleotide of phosphate-sugar- phosphate type. The fragment is flexible and all backbone torsion angles can be varied during the search. For computation reasons the search is restricted by a table of allowed conformations. The most frequent conformations were determined by a conformation family generator [2] utilizing knowledge of sugar-phosphate-sugar conformation families [3]. The RNAbone is suitable for intermediate resolutio (en)
Title
  • Automatic building of nucleic acids structures
  • Automatic building of nucleic acids structures (en)
  • Automatická tvorba struktur nukleových kyselin (cs)
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  • Automatic building of nucleic acids structures
  • Automatic building of nucleic acids structures (en)
  • Automatická tvorba struktur nukleových kyselin (cs)
skos:notation
  • RIV/62157124:16370/06:00000738!RIV07-MSM-16370___
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  • 466392
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  • RIV/62157124:16370/06:00000738
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  • nucleic acids; model building; automatic structure solution (en)
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  • [17B1DB7D2C6C]
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  • Pavelčík, František
  • Schneider, Bohuslav
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  • 16370
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