Assessing protein–ligand interaction scoring functions with the CASF-2013 benchmark
By Yan Li, Minyi Su, Zhihai Liu, Jie Li, Jie Liu, Li Han, Renxiao Wang. 2018
107 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, Molecular Biology, Pharmacology
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In Computational Theory and Mathematics
In Molecular Biology
Citations in the corpus
- Protein-Ligand Interaction Graphs: Learning from Ligand-Shaped 3D Interaction Graphs to Improve Binding Affinity Prediction (2022, background): “While these classical scoring functions perform well in docking and virtual screening tasks, they struggle with binding affinity prediction and ranking tasks ([6, 7]).”