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  • Recent approaches to tunnel computation in protein molecules based on computational geometry are able to satisfactorily compute the narrowest possible width of any tunnel leading from a specified position inside the protein molecule to its surface. However, chemists are not only interested in the minimal width of a tunnel, they would also like to consider other criteria such as the length of the tunnel or its volume. In this paper we present an extension of the recent approach to tunnel computation which could take these other criteria into account. Using Delaunay triangulation we compute the set of all the tunnels which have the widest possible narrowest part, and select the best representative of this set in view of its additional criteria. Even though the extension is straightforward, it has many useful practical impacts.
  • Recent approaches to tunnel computation in protein molecules based on computational geometry are able to satisfactorily compute the narrowest possible width of any tunnel leading from a specified position inside the protein molecule to its surface. However, chemists are not only interested in the minimal width of a tunnel, they would also like to consider other criteria such as the length of the tunnel or its volume. In this paper we present an extension of the recent approach to tunnel computation which could take these other criteria into account. Using Delaunay triangulation we compute the set of all the tunnels which have the widest possible narrowest part, and select the best representative of this set in view of its additional criteria. Even though the extension is straightforward, it has many useful practical impacts. (en)
Title
  • Multicriteria tunnel computation
  • Multicriteria tunnel computation (en)
skos:prefLabel
  • Multicriteria tunnel computation
  • Multicriteria tunnel computation (en)
skos:notation
  • RIV/00216224:14330/08:00024595!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
  • 381080
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14330/08:00024595
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • protein; tunnel; multicriteria computation; computational geometry (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [6C8CF157C6D1]
http://linked.open...v/mistoKonaniAkce
  • Innsbruck, Austria
http://linked.open...i/riv/mistoVydani
  • Innsbruck, Rakousko
http://linked.open...i/riv/nazevZdroje
  • Multicriteria tunnel computation
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
  • Beneš, Petr
  • Medek, Petr
  • Sochor, Jiří
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
number of pages
http://purl.org/ne...btex#hasPublisher
  • ACTA Press
https://schema.org/isbn
  • 978-0-88986-720-8
http://localhost/t...ganizacniJednotka
  • 14330
is http://linked.open...avai/riv/vysledek of
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