Validation of Deep Learning-Based DFCNN in Extremely Large-Scale Virtual Screening and Application in Trypsin I Protease Inhibitor Discovery

Computational methods with affordable computational resources are highly desirable for identifying active drug leads from millions of compounds. This requires a model that is both highly efficient and relatively accurate, which cannot be achieved by most of the current methods. In real virtual scree...

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Detalles Bibliográficos
Autores principales: Zhang, Haiping, Lin, Xiao, Wei, Yanjie, Zhang, Huiling, Liao, Linbu, Wu, Hao, Pan, Yi, Wu, Xuli
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9200220/
https://www.ncbi.nlm.nih.gov/pubmed/35720125
http://dx.doi.org/10.3389/fmolb.2022.872086

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9200220/
https://www.ncbi.nlm.nih.gov/pubmed/35720125
http://dx.doi.org/10.3389/fmolb.2022.872086

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