Accelerated RMSD Calculation for Molecular Metadynamics
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14610%2F16%3A00088323" target="_blank" >RIV/00216224:14610/16:00088323 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Accelerated RMSD Calculation for Molecular Metadynamics
Original language description
In this paper, we introduce GPU acceleration of RMSD approximation, which is computationally demanding task in molecular metadynamics. Comparing to tuned CPU implementation, we have reached 4.4x speedup using mid-end GPU. The scaling of our GPU implementation is sufficient to be usable in real-world application.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
IN - Informatics
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
Proceedings of the 2016 European Simulation and Modelling Conference
ISBN
9789077381953
ISSN
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e-ISSN
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Number of pages
3
Pages from-to
278-280
Publisher name
EUROSIS - ETI
Place of publication
Ghent, Belgie
Event location
Las Palmas, Španielsko
Event date
Oct 25, 2016
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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