Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel–Ligand Docking

[Image: see text] The identification of promising lead compounds showing pharmacological activities toward a biological target is essential in early stage drug discovery. With the recent increase in available small-molecule databases, virtual high-throughput screening using physics-based molecular d...

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Detalles Bibliográficos
Autores principales: Shim, Heesung, Kim, Hyojin, Allen, Jonathan E., Wulff, Heike
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9131459/
https://www.ncbi.nlm.nih.gov/pubmed/35447030
http://dx.doi.org/10.1021/acs.jcim.1c01510

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9131459/
https://www.ncbi.nlm.nih.gov/pubmed/35447030
http://dx.doi.org/10.1021/acs.jcim.1c01510

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