AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput Screens

[Image: see text] Structure-based, virtual High-Throughput Screening (vHTS) methods for predicting ligand activity in drug discovery are important when there are no or relatively few known compounds that interact with a therapeutic target of interest. State-of-the-art computational vHTS necessarily...

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Detalles Bibliográficos
Autores principales: Stafford, Kate A., Anderson, Brandon M., Sorenson, Jon, van den Bedem, Henry
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8924924/
https://www.ncbi.nlm.nih.gov/pubmed/35235748
http://dx.doi.org/10.1021/acs.jcim.1c01250

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8924924/
https://www.ncbi.nlm.nih.gov/pubmed/35235748
http://dx.doi.org/10.1021/acs.jcim.1c01250

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