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Identification of Distant Drug Off-Targets by Direct Superposition of Binding Pocket Surfaces
Correctly predicting off-targets for a given molecular structure, which would have the ability to bind a large range of ligands, is both particularly difficult and important if they share no significant sequence or fold similarity with the respective molecular target (“distant off-targets”). A novel...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Public Library of Science
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877058/ https://www.ncbi.nlm.nih.gov/pubmed/24391782 http://dx.doi.org/10.1371/journal.pone.0083533 |