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A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking
MOTIVATION: Accurately predicting the binding affinities of large sets of diverse protein-ligand complexes is an extremely challenging task. The scoring functions that attempt such computational prediction are essential for analysing the outputs of Molecular Docking, which is in turn an important te...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2010
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3524828/ https://ncbi.nlm.nih.gov/pubmed/20236947 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btq112 |
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