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Polyphony: superposition independent methods for ensemble-based drug discovery
BACKGROUND: Structure-based drug design is an iterative process, following cycles of structural biology, computer-aided design, synthetic chemistry and bioassay. In favorable circumstances, this process can lead to the structures of hundreds of protein-ligand crystal structures. In addition, molecul...
Autores principales: | Pitt, William R, Montalvão, Rinaldo W, Blundell, Tom L |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4261739/ https://www.ncbi.nlm.nih.gov/pubmed/25265915 http://dx.doi.org/10.1186/1471-2105-15-324 |
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