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XLPFE: A Simple and Effective Machine Learning Scoring Function for Protein–Ligand Scoring and Ranking

[Image: see text] Prediction of protein–ligand binding affinities is a central issue in structure-based computer-aided drug design. In recent years, much effort has been devoted to the prediction of the binding affinity in protein–ligand complexes using machine learning (ML). Due to the remarkable a...

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Detalles Bibliográficos
Autores principales: Dong, Lina, Qu, Xiaoyang, Wang, Binju
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9245135/
https://www.ncbi.nlm.nih.gov/pubmed/35785279
http://dx.doi.org/10.1021/acsomega.2c01723