About: FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking     Goto   Sponge   NotDistinct   Permalink

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Description
  • FastGrid is a fork of AutoGrid, which computes grid maps of interaction energies for various atom types around a macromolecule. These grid maps are then used by AutoDock docking calculations to determine the total interaction energy for a ligand with a macromolecule. FastGrid is meant to be a replacement of AutoGrid, having the same behavior as AutoGrid 4.2.1, and being more than 100x faster depending on a molecule and grid map size.
  • FastGrid is a fork of AutoGrid, which computes grid maps of interaction energies for various atom types around a macromolecule. These grid maps are then used by AutoDock docking calculations to determine the total interaction energy for a ligand with a macromolecule. FastGrid is meant to be a replacement of AutoGrid, having the same behavior as AutoGrid 4.2.1, and being more than 100x faster depending on a molecule and grid map size. (en)
Title
  • FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking
  • FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking (en)
skos:prefLabel
  • FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking
  • FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking (en)
skos:notation
  • RIV/00216224:14310/09:00037314!RIV11-MSM-14310___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • S, Z(MSM0021622413), Z(MSM0021622419)
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
  • 314714
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/09:00037314
http://linked.open...terniIdentifikace
  • FastGrid 1.0
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • molecular docking; autogrid; autodock; acceleration; GPU; high performance computing (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [4E02078EDAA8]
http://linked.open.../licencniPoplatek
http://linked.open...okalizaceVysledku
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...echnickeParametry
  • Program pro předvýpočet potenciálových map kompatibilních s balíkem AutoDock. Platforma: PC, linux
http://linked.open...iv/tvurceVysledku
  • Filipovič, Jiří
  • Prokop, Martin
  • Olšák, Marek
http://linked.open...avai/riv/vlastnik
http://linked.open...itiJinymSubjektem
http://linked.open...n/vavai/riv/zamer
http://localhost/t...ganizacniJednotka
  • 14310
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