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  • Biochemists studying the protein properties use a computer analysis of existence and proportions of the tunnels (cavities), leading from a biochemically significant place inside a protein to its surface. In a computer simulation and visualization, a tunnel in a protein can be searched as a sequence of tetrahedra in the 3D triangulation, where the protein atoms positions are used as the triangulation vertices. The geometry of a protein is not static, the positions of atoms change in time and the biochemists have to explore a long sequence of molecule snapshots to find a stable tunnel. The recent method of a tunnel computation creates a triangulation of the whole protein for each snapshot. The method we propose uses topology information about a tunnel from the previous snapshot and a clustering of atoms to cut down the number of the triangulation vertices in the current snapshot, i.e. we compute only a triangulation of an atom subset for each snapshot.
  • Biochemists studying the protein properties use a computer analysis of existence and proportions of the tunnels (cavities), leading from a biochemically significant place inside a protein to its surface. In a computer simulation and visualization, a tunnel in a protein can be searched as a sequence of tetrahedra in the 3D triangulation, where the protein atoms positions are used as the triangulation vertices. The geometry of a protein is not static, the positions of atoms change in time and the biochemists have to explore a long sequence of molecule snapshots to find a stable tunnel. The recent method of a tunnel computation creates a triangulation of the whole protein for each snapshot. The method we propose uses topology information about a tunnel from the previous snapshot and a clustering of atoms to cut down the number of the triangulation vertices in the current snapshot, i.e. we compute only a triangulation of an atom subset for each snapshot. (en)
Title
  • Fast Method for Computation of Channels in Dynamic Proteins
  • Fast Method for Computation of Channels in Dynamic Proteins (en)
skos:prefLabel
  • Fast Method for Computation of Channels in Dynamic Proteins
  • Fast Method for Computation of Channels in Dynamic Proteins (en)
skos:notation
  • RIV/00216224:14330/08:00025169!RIV10-GA0-14330___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA201/07/0927), P(LC06008)
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
  • 367693
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14330/08:00025169
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • protein analysis; channel; visualization (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [CF0D19FEA244]
http://linked.open...v/mistoKonaniAkce
  • Konstanz, Germany
http://linked.open...i/riv/mistoVydani
  • Heidelberg, Germany
http://linked.open...i/riv/nazevZdroje
  • Vision, Modeling and Visualization 2008, Proceedings
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...iv/tvurceVysledku
  • Kolingerová, Ivana
  • Medek, Petr
  • Sochor, Jiří
  • Zemek, Michal
  • Skála, Václav
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
number of pages
http://purl.org/ne...btex#hasPublisher
  • Akademische Verlagsgesselschaft AKA, Heidelberg
https://schema.org/isbn
  • 978-3-89838-609-8
http://localhost/t...ganizacniJednotka
  • 14330
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