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MISATO : machine learning dataset of protein–ligand complexes for structure-based drug discovery

2024
journal article
article
10.1038/s43588-024-00627-2
Journal
Nature Computational Science
20
Author
Siebenmorgen Till

Menezes Filipe

Benassou Sabrina

Merdivan Erinc

Didi Kieran
Show more
Volume
4
Number
5
Pages
367-378
eISSN
2662-8457
URL
https://www.nature.com/articles/s43588-024-00627-2
Access date
2024-07-12
Language
English
Journal language
English
Affiliation
Wydział Chemii : Zakład Chemii Organicznej
Scopus© citations
63
dc.affiliationWydział Chemii : Zakład Chemii Organicznej
dc.contributor.authorSiebenmorgen, Till
dc.contributor.authorMenezes, Filipe
dc.contributor.authorBenassou, Sabrina
dc.contributor.authorMerdivan, Erinc
dc.contributor.authorDidi, Kieran
dc.contributor.authorDias Mourão, André S.
dc.contributor.authorKitel, Radosław - 227807
dc.contributor.authorLiò, Pietro
dc.contributor.authorKesselheim, Stefan
dc.contributor.authorPiraud, Marie
dc.contributor.authorTheis, Fabian J.
dc.contributor.authorMichael Sattler
dc.contributor.authorPopowicz, Grzegorz M.
dc.date.accession2024-07-12
dc.date.accessioned2024-07-12T14:30:27Z
dc.date.available2024-07-12T14:30:27Z
dc.date.issued2024
dc.date.openaccess0
dc.description.accesstimew momencie opublikowania
dc.description.number5
dc.description.physical367-378
dc.description.versionostateczna wersja wydawcy
dc.description.volume4
dc.identifier.doi10.1038/s43588-024-00627-2
dc.identifier.eissn2662-8457
dc.identifier.urihttps://ruj.uj.edu.pl/handle/item/376751
dc.identifier.weblinkhttps://www.nature.com/articles/s43588-024-00627-2
dc.languageeng
dc.language.containereng
dc.rightsUdzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licenceCC-BY
dc.rights.simpleviewWolny dostęp
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.typeinne
dc.source.integratorfalse
dc.subtypeArticle
dc.titleMISATO : machine learning dataset of protein–ligand complexes for structure-based drug discovery
dc.title.journalNature Computational Science
dc.typeJournalArticle
dspace.entity.typePublicationen
dc.affiliation
Wydział Chemii : Zakład Chemii Organicznej
dc.contributor.author
Siebenmorgen, Till
dc.contributor.author
Menezes, Filipe
dc.contributor.author
Benassou, Sabrina
dc.contributor.author
Merdivan, Erinc
dc.contributor.author
Didi, Kieran
dc.contributor.author
Dias Mourão, André S.
dc.contributor.author
Kitel, Radosław - 227807
dc.contributor.author
Liò, Pietro
dc.contributor.author
Kesselheim, Stefan
dc.contributor.author
Piraud, Marie
dc.contributor.author
Theis, Fabian J.
dc.contributor.author
Michael Sattler
dc.contributor.author
Popowicz, Grzegorz M.
dc.date.accession
2024-07-12
dc.date.accessioned
2024-07-12T14:30:27Z
dc.date.available
2024-07-12T14:30:27Z
dc.date.issued
2024
dc.date.openaccess
0
dc.description.accesstime
w momencie opublikowania
dc.description.number
5
dc.description.physical
367-378
dc.description.version
ostateczna wersja wydawcy
dc.description.volume
4
dc.identifier.doi
10.1038/s43588-024-00627-2
dc.identifier.eissn
2662-8457
dc.identifier.uri
https://ruj.uj.edu.pl/handle/item/376751
dc.identifier.weblink
https://www.nature.com/articles/s43588-024-00627-2
dc.language
eng
dc.language.container
eng
dc.rights
Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa
dc.rights.licence
CC-BY
dc.rights.simpleview
Wolny dostęp
dc.rights.uri
http://creativecommons.org/licenses/by/4.0/legalcode.pl
dc.share.type
inne
dc.source.integrator
false
dc.subtype
Article
dc.title
MISATO : machine learning dataset of protein–ligand complexes for structure-based drug discovery
dc.title.journal
Nature Computational Science
dc.type
JournalArticle
dspace.entity.typeen
Publication
Affiliations
Wydział Chemii
Kitel, Radosław
chemical sciences
No affiliation
Siebenmorgen, Till
Menezes, Filipe
Benassou, Sabrina
Merdivan, Erinc
Didi, Kieran
Dias Mourão, André S.
Liò, Pietro
Kesselheim, Stefan
Piraud, Marie
Theis, Fabian J.
Michael Sattler
Popowicz, Grzegorz M.
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