The design of compounds with desirable properties - The anti-HIV case study.

Novak, Jurica; Pathak, Prateek; Grishina, Maria A; Potemkin, Vladimir A

Novak, Jurica; Pathak, Prateek; Grishina, Maria A; Potemkin, Vladimir A.

Afiliación

Novak J; Department of Biotechnology, University of Rijeka, Rijeka, Croatia.
Pathak P; Center for Artificial Intelligence and Cybersecurity, University of Rijeka, Rijeka, Croatia.
Grishina MA; Scientific and Educational Center "Biomedical Technologies", Higher Medical & Biological School, South Ural State University, Chelyabinsk, Russia.
Potemkin VA; Laboratory of Computational Modelling of Drugs, Higher Medical & Biological School, South Ural State University, Chelyabinsk, Russia.

J Comput Chem ; 44(10): 1016-1030, 2023 04 15.

Article en En | MEDLINE | ID: mdl-36533526

Asunto(s)

Inteligencia Artificial; COVID-19; Humanos; Reproducibilidad de los Resultados; Relación Estructura-Actividad Cuantitativa; Algoritmos; Simulación del Acoplamiento Molecular

Palabras clave

3CLpro; HIV-1 protease; QSAR; cytotoxicity; drug repurposing

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Inteligencia Artificial / COVID-19 Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Croacia

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