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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F09%3A00037314%21RIV11-MSM-14310___
rdf:type
skos:Concept n7:Vysledek
dcterms: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.
dcterms:title
FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking
skos:prefLabel
FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking FastGrid -- The Accelerated Computation of Potential Maps for Molecular Docking
skos:notation
RIV/00216224:14310/09:00037314!RIV11-MSM-14310___
n3:aktivita
n12:S n12:Z
n3:aktivity
S, Z(MSM0021622413), Z(MSM0021622419)
n3:dodaniDat
n8:2011
n3:domaciTvurceVysledku
n13:5428599 n13:4842138 n13:3993779
n3:druhVysledku
n11:R
n3:duvernostUdaju
n16:S
n3:entitaPredkladatele
n6:predkladatel
n3:idSjednocenehoVysledku
314714
n3:idVysledku
RIV/00216224:14310/09:00037314
n3:interniIdentifikace
FastGrid 1.0
n3:jazykVysledku
n4:eng
n3:klicovaSlova
molecular docking; autogrid; autodock; acceleration; GPU; high performance computing
n3:klicoveSlovo
n10:acceleration n10:high%20performance%20computing n10:molecular%20docking n10:autodock n10:autogrid n10:GPU
n3:kontrolniKodProRIV
[4E02078EDAA8]
n3:licencniPoplatek
n15:N
n3:lokalizaceVysledku
http://code.google.com/p/fastgrid/
n3:obor
n18:IN
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:rokUplatneniVysledku
n8:2009
n3:technickeParametry
Program pro předvýpočet potenciálových map kompatibilních s balíkem AutoDock. Platforma: PC, linux
n3:tvurceVysledku
Prokop, Martin Olšák, Marek Filipovič, Jiří
n3:vlastnik
n6:vlastnikVysledku
n3:vyuzitiJinymSubjektem
n19:A
n3:zamer
n17:MSM0021622413 n17:MSM0021622419
n14:organizacniJednotka
14310