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  • CICADA programme is based on SCD (Single Coordinate Driving) approach and is used for comformational analysis and molecular docing of small and middle sized molecules. CICADA programme was parallelized in Master-Slave approach. Results shows very good scalability even on small molecules with few rotable bonds. Programme can solve larger problems than its sequential predecessor.
  • CICADA programme is based on SCD (Single Coordinate Driving) approach and is used for comformational analysis and molecular docing of small and middle sized molecules. CICADA programme was parallelized in Master-Slave approach. Results shows very good scalability even on small molecules with few rotable bonds. Programme can solve larger problems than its sequential predecessor. (en)
  • Program CICADA je postaven na SCD (Single Coordinate Driving) přístupu a je používán pro konformační analýzu malých a středních molekula a pro molekulární docking. Program CICADA byl paralelizován pomocí Master-Slave přístupu. Výsledky ukazují velmi dobrou škálovatelnost i na malých molekulách a několika málo rotovatelnými torzemi. Program může řešit ulohy většího rozsahu než dokázala sekvenční verze. (cs)
Title
  • Paralelizace programu CICADA (cs)
  • Parallelization of the Programme CICADA
  • Parallelization of the Programme CICADA (en)
skos:prefLabel
  • Paralelizace programu CICADA (cs)
  • Parallelization of the Programme CICADA
  • Parallelization of the Programme CICADA (en)
skos:notation
  • RIV/00216224:14310/04:00021378!RIV08-MSM-14310___
http://linked.open.../vavai/riv/strany
  • 26
http://linked.open...avai/riv/aktivita
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  • Z(MSM 143100005)
http://linked.open...vai/riv/dodaniDat
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  • 578837
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  • RIV/00216224:14310/04:00021378
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  • Parallelization; Single Coordinate Driving; Conformational Analysis; Grid (en)
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http://linked.open...ontrolniKodProRIV
  • [FED739FB6C9F]
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  • Třešť
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  • Praha
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  • 14th Summer School on Computing Techuniques in Physics: Cluster for Computing in Physics
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http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Kříž, Zdeněk
  • Černohorský, Martin
  • Kosina, Aleš
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
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  • Fyzikální ústav AV ČR
http://localhost/t...ganizacniJednotka
  • 14310
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