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HPC Cloud Technologies for Virtual Screening in Drug Discovery

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Intelligent Information and Database Systems (ACIIDS 2015)

Part of the book series: Lecture Notes in Computer Science ((LNAI,volume 9012))

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Abstract

Increasing development in computer technologies, storage capabilities, networking, and multithreading as well as accelerated progression of computational chemistry methods in past decades have allowed performing advanced virtual screening (VS) methods to assist drug discovery. By employing virtualized computer resources and suitable middleware it is possible to support growing computer demands of VS with flexible cloud services adapted for High Performance Computing (HPC). This paper resumes the possibilities of cloud services for VS applications in drug discovery and shows possible track to move VS computing software to cloud environment.

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Author information

Authors and Affiliations

  1. Faculty of Informatics and Management, University of Hradec Kralove, Rokitanskeho 62, 50003, Hradec Králové, Czech Republic

    Rafael Dolezal, Vladimir Sobeslav, Ondrej Hornig, Ladislav Balik, Jan Korabecny & Kamil Kuca

Authors
  1. Rafael Dolezal
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  2. Vladimir Sobeslav
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  3. Ondrej Hornig
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  4. Ladislav Balik
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  5. Jan Korabecny
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  6. Kamil Kuca
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Corresponding author

Correspondence to Vladimir Sobeslav .

Editor information

Editors and Affiliations

  1. Ton Duc Thang University, Ho Chi Minh city, Vietnam

    Ngoc Thanh Nguyen

  2. Wroclaw University of Technology, Wroclaw, Poland

    Bogdan Trawiński

  3. Bina Nusantara University, Jakarta, Indonesia

    Raymond Kosala

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© 2015 Springer International Publishing Switzerland

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Cite this paper

Dolezal, R., Sobeslav, V., Hornig, O., Balik, L., Korabecny, J., Kuca, K. (2015). HPC Cloud Technologies for Virtual Screening in Drug Discovery. In: Nguyen, N., Trawiński, B., Kosala, R. (eds) Intelligent Information and Database Systems. ACIIDS 2015. Lecture Notes in Computer Science(), vol 9012. Springer, Cham. https://doi.org/10.1007/978-3-319-15705-4_43

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  • DOI: https://doi.org/10.1007/978-3-319-15705-4_43

  • Published:

  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-15704-7

  • Online ISBN: 978-3-319-15705-4

  • eBook Packages: Computer ScienceComputer Science (R0)

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