AQDnet: Deep Neural Network for Protein–Ligand Docking Simulation

[Image: see text] We have developed an innovative system, AI QM Docking Net (AQDnet), which utilizes the three-dimensional structure of protein–ligand complexes to predict binding affinity. This system is novel in two respects: first, it significantly expands the training dataset by generating thous...

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Detalles Bibliográficos
Autores principales: Shiota, Koji, Suma, Akira, Ogawa, Hiroyuki, Yamaguchi, Takuya, Iida, Akio, Hata, Takahiro, Matsushita, Mutsuyoshi, Akutsu, Tatsuya, Tateno, Masaru
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10324054/
https://www.ncbi.nlm.nih.gov/pubmed/37426216
http://dx.doi.org/10.1021/acsomega.3c02411

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10324054/
https://www.ncbi.nlm.nih.gov/pubmed/37426216
http://dx.doi.org/10.1021/acsomega.3c02411

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