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...

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Detalles Bibliográficos
Autores principales: Pitt, William R, Montalvão, Rinaldo W, Blundell, Tom L
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2014
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