Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Julien C. Thibault"'
Publikováno v:
SAR and QSAR in Environmental Research. 26:577-593
Biomolecular simulations aim to simulate structure, dynamics, interactions, and energetics of complex biomolecular systems. With the recent advances in hardware, it is now possible to use more complex and accurate models, but also reach time scales t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d8eabf91d3cc5761fb5bf2fdb3b5cb7b
https://doi.org/10.1080/1062936x.2015.1076515
https://doi.org/10.1080/1062936x.2015.1076515
Publikováno v:
Journal of Chemical Information and Modeling
As the amount of data generated by biomolecular simulations dramatically increases, new tools need to be developed to help manage this data at the individual investigator or small research group level. In this paper, we introduce iBIOMES Lite, a ligh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ef3c688dfe6352a0a4bdbd594dc5870
http://europepmc.org/articles/PMC4076027
http://europepmc.org/articles/PMC4076027
Publikováno v:
J Chem Inf Model
Biomolecular simulations, which were once batch queue or compute limited, have now become data analysis and management limited. In this paper we introduce a new management system for large biomolecular simulation and computational chemistry data sets
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eaf81967022b7d3964d68d473cffb4f9
https://doi.org/10.1021/ci300524j
https://doi.org/10.1021/ci300524j
Autor:
Inanc Senocak, Julien C. Thibault
Publikováno v:
The Journal of Supercomputing. 59:693-719
Graphics processor units (GPU) that are originally designed for graphics rendering have emerged as massively-parallel "co-processors" to the central processing unit (CPU). Small-footprint multi-GPU workstations with hundreds of processing elements ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::604e26d0e6bf7ea37b89d8fcb5c77756
https://doi.org/10.1007/s11227-010-0468-1
https://doi.org/10.1007/s11227-010-0468-1
Publikováno v:
48th AIAA Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition.
Modern graphics processing units (GPUs) with many-core architectures have emerged as general-purpose parallel computing platforms that can accelerate simulation science applications tremendously. While multiGPU workstations with several TeraFLOPS of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bd157a67573e3a1592db5ef61c954d89
https://doi.org/10.2514/6.2010-522
https://doi.org/10.2514/6.2010-522
Autor:
Julien C. Thibault, Inanc Senocak
Publikováno v:
47th AIAA Aerospace Sciences Meeting including The New Horizons Forum and Aerospace Exposition.
Graphics processor units (GPU) that are traditionally designed for graphics rendering have emerged as massively-parallel "co-processors" to the central processing unit (CPU). Small-footprint desktop supercomputers with hundreds of cores that can deli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afd2ced2671ea03ae57bfb28fdd37852
https://doi.org/10.2514/6.2009-758
https://doi.org/10.2514/6.2009-758
Publikováno v:
Journal of Cheminformatics
Background Few environments have been developed or deployed to widely share biomolecular simulation data or to enable collaborative networks to facilitate data exploration and reuse. As the amount and complexity of data generated by these simulations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::991ad41ba4d644f6987e2446793fb2c1
http://europepmc.org/articles/PMC3915074
http://europepmc.org/articles/PMC3915074