Zobrazeno 1 - 10
of 35
pro vyhledávání: '"Tomáš Raček"'
Autor:
Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, Jaroslav Koča, Karel Berka, Radka Svobodová
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-11 (2021)
Abstract Background Partial atomic charges find many applications in computational chemistry, chemoinformatics, bioinformatics, and nanoscience. Currently, frequently used methods for charge calculation are the Electronegativity Equalization Method (
Externí odkaz:
https://doaj.org/article/169dbc18d0964272ae4286310036a6f8
Autor:
Jon Ison, Hans Ienasescu, Piotr Chmura, Emil Rydza, Hervé Ménager, Matúš Kalaš, Veit Schwämmle, Björn Grüning, Niall Beard, Rodrigo Lopez, Severine Duvaud, Heinz Stockinger, Bengt Persson, Radka Svobodová Vařeková, Tomáš Raček, Jiří Vondrášek, Hedi Peterson, Ahto Salumets, Inge Jonassen, Rob Hooft, Tommi Nyrönen, Alfonso Valencia, Salvador Capella, Josep Gelpí, Federico Zambelli, Babis Savakis, Brane Leskošek, Kristoffer Rapacki, Christophe Blanchet, Rafael Jimenez, Arlindo Oliveira, Gert Vriend, Olivier Collin, Jacques van Helden, Peter Løngreen, Søren Brunak
Publikováno v:
Genome Biology, Vol 20, Iss 1, Pp 1-4 (2019)
Abstract Bioinformaticians and biologists rely increasingly upon workflows for the flexible utilization of the many life science tools that are needed to optimally convert data into knowledge. We outline a pan-European enterprise to provide a catalog
Externí odkaz:
https://doaj.org/article/c83588b2872a4b119b058a97f0ced0f7
Autor:
Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, Jaroslav Koča, Karel Berka, Radka Svobodová
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-2 (2021)
A Correction to this paper has been published: https://doi.org/10.1186/s13321-021-00528-w
Externí odkaz:
https://doaj.org/article/7465af7c6a0948caaa0573057da63727
Autor:
Ondřej Schindler, Karel Berka, Alessio Cantara, Aleš Křenek, Dominik Tichý, Tomáš Raček, Radka Svobodová
Publikováno v:
Nucleic Acids Research.
The AlphaFold2 prediction algorithm opened up the possibility of exploring proteins’ structural space at an unprecedented scale. Currently, >200 million protein structures predicted by this approach are deposited in AlphaFoldDB, covering entire pro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::838b214d0f39f5510ea3079e1cd076aa
https://doi.org/10.1093/nar/gkad349
https://doi.org/10.1093/nar/gkad349
Autor:
Lucie Lamothe, Jennifer Rugaard Bregndahl Jensen, Hans Ienasescu, Ove Johan Ragnar Gustafsson, Alban Gaignard, Dmitry Repchevsky, Radka Svobodová, Tomáš Raček, Matej Antol, Magnus Palmblad, Matúš Kalaš, Hervé MENAGER
Here we report the results of a project started at the BioHackathon Europe 2022. Its goals were to cross-compare and analyze the metadata centralized in the Tools Ecosystem, and linked to the EDAM ontology, as well as to explore methods for connectin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33ec78fbd50fed430a6e8e52b36641ff
https://doi.org/10.37044/osf.io/79kje
https://doi.org/10.37044/osf.io/79kje
Autor:
Vladimír Horský, Karel Berka, Radka Svobodová, Ondřej Schindler, Jaroslav Koča, Tomáš Raček, Dominik Toušek
Publikováno v:
Nucleic Acids Research
Partial atomic charges serve as a simple model for the electrostatic distribution of a molecule that drives its interactions with its surroundings. Since partial atomic charges are frequently used in computational chemistry, chemoinformatics and bioi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6469a7107d68dfc71ed15278d8496a2f
http://europepmc.org/articles/PMC7319571
http://europepmc.org/articles/PMC7319571
Publikováno v:
Similarity Search and Applications ISBN: 9783030896560
SISAP
SISAP
Contemporary challenges for efficient similarity search include complex similarity functions, the curse of dimensionality, and large sizes of descriptive features of data objects. This article reports our experience with a database of protein chains
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf633f571109e9f1d0937c6d510a3907
https://doi.org/10.1007/978-3-030-89657-7_20
https://doi.org/10.1007/978-3-030-89657-7_20
Autor:
Piotr Jaroslaw Chmura, Salvador Capella, Rob Hooft, Søren Brunak, Tomáš Raček, Inge Jonassen, Rodrigo Lopez, Jacques van Helden, Bengt Persson, Hedi Peterson, Brane Leskošek, Alfonso Valencia, Heinz Stockinger, Hervé Ménager, Emil Karol Rydza, Matúš Kalaš, Josep Lluís Gelpí, Tommi Nyrönen, Hans Ienasescu, Christophe Blanchet, Rafael C. Jimenez, Björn Grüning, Jon Ison, Babis Savakis, Radka Svobodová Vařeková, Arlindo L. Oliveira, Peter Løngreen, Niall Beard, Gert Vriend, Veit Schwämmle, Jiří Vondrášek, Séverine Duvaud, Federico Zambelli, Ahto Salumets, Kristoffer Rapacki, Olivier Collin
Publikováno v:
Genome Biology
Ison, J, Ienasescu, H, Chmura, P, Rydza, E, Ménager, H, Kalaš, M, Schwämmle, V, Grüning, B, Beard, N, Lopez, R, Duvaud, S, Stockinger, H, Persson, B, Vařeková, R S, Raček, T, Vondrášek, J, Peterson, H, Salumets, A, Jonassen, I, Hooft, R, Nyrönen, T, Valencia, A, Capella, S, Gelpí, J, Zambelli, F, Savakis, B, Leskošek, B, Rapacki, K, Blanchet, C, Jimenez, R, Oliveira, A, Vriend, G, Collin, O, van Helden, J, Løngreen, P & Brunak, S 2019, ' The bio.tools registry of software tools and data resources for the life sciences ', Genome Biology, vol. 20, no. 1, 164 . https://doi.org/10.1186/s13059-019-1772-6
Dipòsit Digital de la UB
Universidad de Barcelona
Genome Biology, BioMed Central, 2019, 20 (164), pp.1-4. ⟨10.1186/s13059-019-1772-6⟩
Genome Biology, 2019, 20 (164), pp.1-4. ⟨10.1186/s13059-019-1772-6⟩
Genome Biology, Vol 20, Iss 1, Pp 1-4 (2019)
Genome Biology, 20, 164
Genome Biology, 20, 1, pp. 164
Ison, J, Ienasescu, H, Chmura, P J, Rydza, E K, Menager, H, Kalaš, M, Schwammle, V, Gruning, B, Beard, N, Lopez, R, Duvaud, S, Stockinger, H, Persson, B, Vařekova, R S, Raček, T, Vondrašek, J, Peterson, H, Salumets, A, Jonassen, I, Hooft, R, Nyronen, T, Valencia, A, Capella, S, Gelpi, J, Zambelli, F, Savakis, B, Leskošek, B, Rapacki, K, Blanchet, C, Jimenez, R, Oliveira, A, Vriend, G, Collin, O, Van Helden, J, Løngreen, P & Brunak, S 2019, ' The bio.tools registry of software tools and data resources for the life sciences ', Genome Biology, vol. 20, no. 1, 164 . https://doi.org/10.1186/s13059-019-1772-6
Ison, J, Ienasescu, H, Chmura, P, Rydza, E, Menager, H, Kalaš, M, Schwammle, V, Gruning, B, Beard, N, Lopez, R, Duvaud, S, Stockinger, H, Persson, B, Vařekova, R S, Raček, T, Vondrašek, J, Peterson, H, Salumets, A, Jonassen, I, Hooft, R, Nyronen, T, Valencia, A, Capella, S, Gelpi, J, Zambelli, F, Savakis, B, Leskošek, B, Rapacki, K, Blanchet, C, Jimenez, R, Oliveira, A, Vriend, G, Collin, O, Van Helden, J, Løngreen, P & Brunak, S 2019, ' The bio.tools registry of software tools and data resources for the life sciences ', Genome Biology, vol. 20, no. 1, 164 . https://doi.org/10.1186/s13059-019-1772-6
Sygma
INRIA a CCSD electronic archive server
NARCIS
Digitala Vetenskapliga Arkivet-Academic Archive On-line
Online Research Database In Technology
DOAJ-Articles
HAL-Pasteur
Hyper Article en Ligne
Copenhagen University Research Information System
Datacite
UnpayWall
ORCID
Microsoft Academic Graph
HAL-UPEC / UPEM
University of Southern Denmark Research Output
Hal-Diderot
HAL-CEA
Bergen Open Research Archive-UiB
HAL Descartes
HAL-Inserm
HAL-Rennes 1
Publikationer från Uppsala Universitet
HAL AMU
Diposit Digital de la Universitat de Barcelona
Archivio Istituzionale della Ricerca dell'Università degli Studi di Milano
PubMed Central
Mémoires en Sciences de l'Information et de la Communication
Norwegian Open Research Archives
Genome Biology, 20
Ison, J, Ienasescu, H, Chmura, P, Rydza, E, Ménager, H, Kalaš, M, Schwämmle, V, Grüning, B, Beard, N, Lopez, R, Duvaud, S, Stockinger, H, Persson, B, Vařeková, R S, Raček, T, Vondrášek, J, Peterson, H, Salumets, A, Jonassen, I, Hooft, R, Nyrönen, T, Valencia, A, Capella, S, Gelpí, J, Zambelli, F, Savakis, B, Leskošek, B, Rapacki, K, Blanchet, C, Jimenez, R, Oliveira, A, Vriend, G, Collin, O, van Helden, J, Løngreen, P & Brunak, S 2019, ' The bio.tools registry of software tools and data resources for the life sciences ', Genome Biology, vol. 20, no. 1, 164 . https://doi.org/10.1186/s13059-019-1772-6
Dipòsit Digital de la UB
Universidad de Barcelona
Genome Biology, BioMed Central, 2019, 20 (164), pp.1-4. ⟨10.1186/s13059-019-1772-6⟩
Genome Biology, 2019, 20 (164), pp.1-4. ⟨10.1186/s13059-019-1772-6⟩
Genome Biology, Vol 20, Iss 1, Pp 1-4 (2019)
Genome Biology, 20, 164
Genome Biology, 20, 1, pp. 164
Ison, J, Ienasescu, H, Chmura, P J, Rydza, E K, Menager, H, Kalaš, M, Schwammle, V, Gruning, B, Beard, N, Lopez, R, Duvaud, S, Stockinger, H, Persson, B, Vařekova, R S, Raček, T, Vondrašek, J, Peterson, H, Salumets, A, Jonassen, I, Hooft, R, Nyronen, T, Valencia, A, Capella, S, Gelpi, J, Zambelli, F, Savakis, B, Leskošek, B, Rapacki, K, Blanchet, C, Jimenez, R, Oliveira, A, Vriend, G, Collin, O, Van Helden, J, Løngreen, P & Brunak, S 2019, ' The bio.tools registry of software tools and data resources for the life sciences ', Genome Biology, vol. 20, no. 1, 164 . https://doi.org/10.1186/s13059-019-1772-6
Ison, J, Ienasescu, H, Chmura, P, Rydza, E, Menager, H, Kalaš, M, Schwammle, V, Gruning, B, Beard, N, Lopez, R, Duvaud, S, Stockinger, H, Persson, B, Vařekova, R S, Raček, T, Vondrašek, J, Peterson, H, Salumets, A, Jonassen, I, Hooft, R, Nyronen, T, Valencia, A, Capella, S, Gelpi, J, Zambelli, F, Savakis, B, Leskošek, B, Rapacki, K, Blanchet, C, Jimenez, R, Oliveira, A, Vriend, G, Collin, O, Van Helden, J, Løngreen, P & Brunak, S 2019, ' The bio.tools registry of software tools and data resources for the life sciences ', Genome Biology, vol. 20, no. 1, 164 . https://doi.org/10.1186/s13059-019-1772-6
Sygma
INRIA a CCSD electronic archive server
NARCIS
Digitala Vetenskapliga Arkivet-Academic Archive On-line
Online Research Database In Technology
DOAJ-Articles
HAL-Pasteur
Hyper Article en Ligne
Copenhagen University Research Information System
Datacite
UnpayWall
ORCID
Microsoft Academic Graph
HAL-UPEC / UPEM
University of Southern Denmark Research Output
Hal-Diderot
HAL-CEA
Bergen Open Research Archive-UiB
HAL Descartes
HAL-Inserm
HAL-Rennes 1
Publikationer från Uppsala Universitet
HAL AMU
Diposit Digital de la Universitat de Barcelona
Archivio Istituzionale della Ricerca dell'Università degli Studi di Milano
PubMed Central
Mémoires en Sciences de l'Information et de la Communication
Norwegian Open Research Archives
Genome Biology, 20
Bioinformaticians and biologists rely increasingly upon workflows for the flexible utilization of the many life science tools that are needed to optimally convert data into knowledge. We outline a pan-European enterprise to provide a catalogue (https
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::effa6f5a0459fe8eb2a1ef8d4925cc00
Autor:
Ison, Jon, Ienasescu, Hans, Chmura, Piotr, Rydza, Emil, Ménager, Hervé, Matúš Kalaš, Schwämmle, Veit, Grüning, Björn, Beard, Niall, Lopez, Rodrigo, Duvaud, Severine, Stockinger, Heinz, Persson, Bengt, Vařeková, Radka, Tomáš Raček, Jiří Vondrášek, Peterson, Hedi, Salumets, Ahto, Jonassen, Inge, Hooft, Rob, Nyrönen, Tommi, Valencia, Alfonso, Capella, Salvador, Gelpí, Josep, Zambelli, Federico, Babis Savakis, Leskošek, Brane, Rapacki, Kristoffer, Blanchet, Christophe, Jimenez, Rafael, Oliveira, Arlindo, Vriend, Gert, Collin, Olivier, Helden, Jacques, Løngreen, Peter, Brunak, Søren
Publikováno v:
Datacite
Review history. (DOCX 20 kb)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a1054506062ae70c7caa99482bd51cc
Autor:
Václav Hejret, Stanislav Geidl, Radka Svobodová Vařeková, Aleš Křenek, Tomáš Raček, Francesco Luca Falginella, Vladimír Horský, Jana Pazúriková, Jaroslav Koča
Publikováno v:
Journal of Cheminformatics
Background The concept of partial atomic charges was first applied in physical and organic chemistry and was later also adopted in computational chemistry, bioinformatics and chemoinformatics. The electronegativity equalization method (EEM) is the mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f1ca24509f59a4eb33d942b48324380
https://doi.org/10.1186/s13321-016-0171-1
https://doi.org/10.1186/s13321-016-0171-1