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dc.contributor.author
Fernandez, Ariel  
dc.date.available
2023-09-13T15:38:40Z  
dc.date.issued
2021-06  
dc.identifier.citation
Fernandez, Ariel; Artificial Intelligence Set to Reverse Engineer Drug Targeting in the Cell; American Chemical Society; ACS Pharmacology and Translational Science; 4; 3; 6-2021; 1256-1259  
dc.identifier.issn
2575-9108  
dc.identifier.uri
http://hdl.handle.net/11336/211393  
dc.description.abstract
Therapeutic drugs are required to target proteins in the cell, not in vitro. Yet, drug-induced protein folding in vivo is off limits to computational modeling efforts. This situation may change as artificial intelligence empowers molecular dynamics and enables the deconstruction of in vivo cooperativity for structural adaptation.  
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
LEAD OPTIMIZATION  
dc.subject
MOLECULAR DYNAMICS  
dc.subject
STRUCTURE-BASED DRUG DESIGN  
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 Set to Reverse Engineer Drug Targeting in the Cell  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2023-09-13T12:02:06Z  
dc.journal.volume
4  
dc.journal.number
3  
dc.journal.pagination
1256-1259  
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 Pharmacology and Translational Science  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://doi.org/10.1021/acsptsci.1c00107  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acsptsci.1c00107  

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