%0 Conference Proceedings
%T Volunteer Computing Project SiDock@home for Virtual Drug Screening Against SARS-CoV-2
%+ Institute of Applied Mathematical Research [Petrozavodsk]
%+ Internet portal BOINC [Moscou]
%+ Faculty of Chemistry and Chemical Technology
%+ University of Maribor
%+ University of Primorska
%A Nikitina, Natalia
%A Manzyuk, Maxim
%A Podlipnik, Črtomir
%A Jukić, Marko
%< avec comité de lecture
%( IFIP Advances in Information and Communication Technology
%B 1st International Conference on Computer Science Protecting Human Society Against Epidemics (ANTICOVID)
%C Virtual, Poland
%Y Aleksander Byrski
%Y Tadeusz Czachórski
%Y Erol Gelenbe
%Y Krzysztof Grochla
%Y Yuko Murayama
%I Springer International Publishing
%3 Computer Science Protecting Human Society Against Epidemics
%V AICT-616
%P 23-34
%8 2021-06-28
%D 2021
%R 10.1007/978-3-030-86582-5_3
%K Distributed computing
%K Volunteer computing
%K BOINC
%K Desktop grid
%K Virtual screening
%K Molecular docking
%K SARS-CoV-2
%Z Computer Science [cs]Conference papers
%X In this paper, we describe a volunteer computing project SiDock@home aimed at high-throughput virtual screening of a specially developed library of small compounds against a set of targets playing important roles in the life-cycle of the virus. The originality of the screening library and the molecular docking software allows us to obtain new knowledge about chemical space in relation to SARS-CoV-2. At the same time, the existing volunteer computing community provides us with a large computational power. Having risen to a size of a modern supercomputer in several months, SiDock@home becomes an independent general drug discovery project, with its first mission targeting SARS-CoV-2.
%G English
%Z TC 5
%2 https://inria.hal.science/hal-03746665/document
%2 https://inria.hal.science/hal-03746665/file/519603_1_En_3_Chapter.pdf
%L hal-03746665
%U https://inria.hal.science/hal-03746665
%~ IFIP
%~ IFIP-AICT
%~ IFIP-TC
%~ IFIP-TC5
%~ IFIP-AICT-616
%~ IFIP-ANTICOVID