Distributed Systems / Future Generation Computer Systems / Oxford University Press / Esprit / Journal / Elsevier B.V. / John Wiley & Sons Inc. / SZDG / ScienceDirect Future Generation Computer Systems / /
Country
Hungary / Estonia / Germany / United States / / /
Facility
Automation Research Institute / Tallinn University of Technology / University of Westminster / Eötvös Lóránd University of Science Budapest / Technical University of Budapest / Laboratory of Parallel / University of Tartu / University of Vienna / / /
IndustryTerm
quantum chemical / search operation / chemical workflow / grid systems / intensive conformational search / private desktop grid systems / neural networks / software modules / desktop grid systems / inhouse software / quantum chemical descriptor calculation / file format conversions between different applications / gUSE services / software packages / chemical structures / computation intensive algorithms / chemical software tool / energy / chemical components / desktop grid server / chemical compound / chemical calculations / helper tool / grid technology / cloud technology / high level web user interface / semi-empirical quantum chemical calculation task / parameter sweep applications / computing / quantum chemical descriptors / art algorithm / chemical databases / chemical items / low energy conformers / code developer / virtual chemical libraries / parameter study applications / lowest energy conformer / pre-processing steps / biotechnology / provided virtualisation/sandboxing technology / high level web / chemistry applications / purpose high-level web-interfaces / conformational search / chemical technology / applied drug discovery algorithms / energy values / ab initio quantum chemical calculations / quantum chemical calculations / cloud systems / legacy applications / chemical elements / chemical structure properties / portal server / lowmode search / chemical properties / fancy project web page / chemical tools / chemical software tools / chemical workflows / software programs / command line tool / web-service calls / chemical / chemical structure / quantum chemical calculation / applied software packages / level services / required large scale computing infrastructure / quantum-chemical descriptors / /
OperatingSystem
Microsoft Windows / Linux / /
Organization
Technical University of Budapest / Tallinn University / Department of Chemistry / European Commission / European Union / Oxford University / University of Westminster / Hungarian Academy / University of Tartu / University of Vienna / /
Person
Carsten Kettner / Peter Kacsuk / Addison Wesley / Andre Lomaka / Gabor Gombas / József Kovács / Attila Csaba Marosi / A.R. Katritzky / V / Pamela Greenwell / Hans Heindl / Gabor Terstyanszky / Martin G. Hicks / Tamas Kiss / Babak Afrough / Jozsef Kovacs / Noam Weingarten / Attila Udvardi / / /
Position
system administrator / President / workflow interpreter / Head / CCS scheduler / professor / CCS system administrator / shell interpreter / chemist / author and co-author / Model development Model development workflow / Scientist / Corresponding author / leader / model development process / co-editor-in-chief / Private / the leader of the DesktopGrid team / /
ProgrammingLanguage
XML / /
ProvinceOrState
New York / /
Technology
art algorithm / XML / computation intensive algorithms / Linux / API / provided virtualisation/sandboxing technology / Stochastic Proximity Embedding algorithm / drug discovery / neural network / BOINC technology / applied drug discovery algorithms / 3G / Bioinformatics / molecular modeling / relational database / biotechnology / grid technology / computational chemistry / cloud technology / chemical libraries / Drug design / simulation / animation / /
Using a private desktop grid system for accelerating drug discovery