Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method

[Image: see text] Protein–ligand interactions are essential to drug discovery and drug development efforts. Desirable on-target or multitarget interactions are the first step in finding an effective therapeutic, while undesirable off-target interactions are the first step in assessing safety. In thi...

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Detalles Bibliográficos
Autores principales: Stevenson, Garrett A., Kirshner, Dan, Bennion, Brian J., Yang, Yue, Zhang, Xiaohua, Zemla, Adam, Torres, Marisa W., Epstein, Aidan, Jones, Derek, Kim, Hyojin, Bennett, W. F. Drew, Wong, Sergio E., Allen, Jonathan E., Lightstone, Felice C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10647021/
https://www.ncbi.nlm.nih.gov/pubmed/37847557
http://dx.doi.org/10.1021/acs.jcim.3c00722

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10647021/
https://www.ncbi.nlm.nih.gov/pubmed/37847557
http://dx.doi.org/10.1021/acs.jcim.3c00722

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