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The impact of cross-docked poses on performance of machine learning classifier for protein–ligand binding pose prediction
Structure-based drug design depends on the detailed knowledge of the three-dimensional (3D) structures of protein–ligand binding complexes, but accurate prediction of ligand-binding poses is still a major challenge for molecular docking due to deficiency of scoring functions (SFs) and ignorance of p...
| Autores principales: | , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8520186/ https://www.ncbi.nlm.nih.gov/pubmed/34656169 http://dx.doi.org/10.1186/s13321-021-00560-w |