Artículo

Artificial Intelligence Set to Reverse Engineer Drug Targeting in the Cell

Fernandez, ArielIcon
Fecha de publicación: 06/2021
Editorial: American Chemical Society
Revista: ACS Pharmacology and Translational Science
ISSN: 2575-9108
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

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.
Palabras clave: ARTIFICIAL INTELLIGENCE , DRUG-INDUCED PROTEIN FOLDING , IN VIVO PROTEIN FOLDING , LEAD OPTIMIZATION , MOLECULAR DYNAMICS , STRUCTURE-BASED DRUG DESIGN
 
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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/211393
URL: https://doi.org/10.1021/acsptsci.1c00107
DOI: http://dx.doi.org/10.1021/acsptsci.1c00107
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Citación
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
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