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Description
  • Two RNA sequences, AAA and AUG, were studied by the conformational search program CICADA and by molecular dynamics (MD) in the framework of the AMBER force field, and also via thorough PDB database search. CICADA was used to provide detailed information about conformers and conformational interconversions on the energy surfaces of the above molecules. Several conformational families were found for both sequences. Analysis of the results shows differences, especially between the energy of the single families, and also in flexibility and concerted conformational movement. Therefore, several MD trajectories (altogether 16 ns) were run to obtain more details about both the stability of conformers belonging to different conformational families and about the dynamics of the two systems. Results show that the trajectories strongly depend on the starting structure. When the MD start from the global minimum found by CICADA, they provide a stable run, while MD starting from another conformational family generat
  • Two RNA sequences, AAA and AUG, were studied by the conformational search program CICADA and by molecular dynamics (MD) in the framework of the AMBER force field, and also via thorough PDB database search. CICADA was used to provide detailed information about conformers and conformational interconversions on the energy surfaces of the above molecules. Several conformational families were found for both sequences. Analysis of the results shows differences, especially between the energy of the single families, and also in flexibility and concerted conformational movement. Therefore, several MD trajectories (altogether 16 ns) were run to obtain more details about both the stability of conformers belonging to different conformational families and about the dynamics of the two systems. Results show that the trajectories strongly depend on the starting structure. When the MD start from the global minimum found by CICADA, they provide a stable run, while MD starting from another conformational family generat (en)
  • Two RNA sequences, AAA and AUG, were studied by the conformational search program CICADA and by molecular dynamics (MD) in the framework of the AMBER force field, and also via thorough PDB database search. CICADA was used to provide detailed information about conformers and conformational interconversions on the energy surfaces of the above molecules. Several conformational families were found for both sequences. Analysis of the results shows differences, especially between the energy of the single families, and also in flexibility and concerted conformational movement. Therefore, several MD trajectories (altogether 16 ns) were run to obtain more details about both the stability of conformers belonging to different conformational families and about the dynamics of the two systems. Results show that the trajectories strongly depend on the starting structure. When the MD start from the global minimum found by CICADA, they provide a stable run, while MD starting from another conformational family generat (cs)
Title
  • Conformational Flexibility of Two RNA Trimers Explored by Computational Tools and Database Search
  • Conformational Flexibility of Two RNA Trimers Explored by Computational Tools and Database Search (en)
  • Conformational Flexibility of Two RNA Trimers Explored by Computational Tools and Database Search (cs)
skos:prefLabel
  • Conformational Flexibility of Two RNA Trimers Explored by Computational Tools and Database Search
  • Conformational Flexibility of Two RNA Trimers Explored by Computational Tools and Database Search (en)
  • Conformational Flexibility of Two RNA Trimers Explored by Computational Tools and Database Search (cs)
skos:notation
  • RIV/00216224:14310/03:00008713!RIV08-MSM-14310___
http://linked.open.../vavai/riv/strany
  • 715-731
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(LN00A016)
http://linked.open...iv/cisloPeriodika
  • 5
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
  • 602019
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/03:00008713
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Conformational search; RNA trimers; Molecular dynamics; AMBER; CICADA; Database Search (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [59084EEA4FD1]
http://linked.open...i/riv/nazevZdroje
  • Journal of Biomolecular Structure and Dynamics
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 20
http://linked.open...iv/tvurceVysledku
  • Koča, Jaroslav
  • Fadrná, Eva
issn
  • 0739-1102
number of pages
http://localhost/t...ganizacniJednotka
  • 14310
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