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dc.contributor.author
Fernandez, Ariel  
dc.date.available
2023-09-19T10:04:41Z  
dc.date.issued
2021-07  
dc.identifier.citation
Fernandez, Ariel; Artificial Intelligence Deconstructs Drug Targeting in Vivo by Leveraging a Transformer Platform; American Chemical Society; ACS Medicinal Chemistry Letters; 12; 7; 7-2021; 1052-1055  
dc.identifier.issn
1948-5875  
dc.identifier.uri
http://hdl.handle.net/11336/211913  
dc.description.abstract
Lead optimization in structure-based drug design ultimately requires that the therapeutic agent be evaluated in the cellular context. However, the in vivo control of the target structure remains unyielding to computational modeling. This situation may change as transformer technologies enable a deconstruction of in vivo cooperativity steering drug-induced protein folding.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Chemical Society  
dc.rights
info:eu-repo/semantics/restrictedAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
ARTIFICIAL INTELLIGENCE  
dc.subject
DRUG-INDUCED PROTEIN FOLDING  
dc.subject
IN VIVO PROTEIN FOLDING  
dc.subject
MOLECULAR DYNAMICS  
dc.subject
STRUCTURE-BASED DRUG DESIGN  
dc.subject
TRANSFORMER  
dc.subject.classification
Ciencias de la Información y Bioinformática  
dc.subject.classification
Ciencias de la Computación e Información  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Artificial Intelligence Deconstructs Drug Targeting in Vivo by Leveraging a Transformer Platform  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2023-09-14T17:39:40Z  
dc.journal.volume
12  
dc.journal.number
7  
dc.journal.pagination
1052-1055  
dc.journal.pais
Estados Unidos  
dc.description.fil
Fil: Fernandez, Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina  
dc.journal.title
ACS Medicinal Chemistry Letters  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acsmedchemlett.1c00237  

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