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Systematic Investigation of Docking Failures in Large-Scale Structure-Based Virtual Screening

[Image: see text] In recent years, large-scale structure-based virtual screening has attracted increasing levels of interest for identification of novel compounds corresponding to potential drug targets. It is critical to understand the strengths and weaknesses of docking algorithms to increase the...

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Detalles Bibliográficos
Autores principales:	Xu, Min, Shen, Cheng, Yang, Jincai, Wang, Qing, Huang, Niu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9632257/ https://www.ncbi.nlm.nih.gov/pubmed/36340123 http://dx.doi.org/10.1021/acsomega.2c05826

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