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4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening
BACKGROUND: The performance of 3D-based virtual screening similarity functions is affected by the applied conformations of compounds. Therefore, the results of 3D approaches are often less robust than 2D approaches. The application of 3D methods on multiple conformer data sets normally reduces this...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3156737/ https://www.ncbi.nlm.nih.gov/pubmed/21733172 http://dx.doi.org/10.1186/1758-2946-3-23 |