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Virtual Screening with Gnina 1.0

Virtual screening—predicting which compounds within a specified compound library bind to a target molecule, typically a protein—is a fundamental task in the field of drug discovery. Doing virtual screening well provides tangible practical benefits, including reduced drug development costs, faster ti...

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Detalles Bibliográficos
Autores principales: Sunseri, Jocelyn, Koes, David Ryan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8659095/
https://www.ncbi.nlm.nih.gov/pubmed/34885952
http://dx.doi.org/10.3390/molecules26237369