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A structure-guided approach for protein pocket modeling and affinity prediction
Binding affinity prediction is frequently addressed using computational models constructed solely with molecular structure and activity data. We present a hybrid structure-guided strategy that combines molecular similarity, docking, and multiple-instance learning such that information from protein s...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Netherlands
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3851759/ https://www.ncbi.nlm.nih.gov/pubmed/24214361 http://dx.doi.org/10.1007/s10822-013-9688-9 |