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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |