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Fragment-based identification of druggable ‘hot spots’ of proteins using Fourier domain correlation techniques

Motivation: The binding sites of proteins generally contain smaller regions that provide major contributions to the binding free energy and hence are the prime targets in drug design. Screening libraries of fragment-sized compounds by NMR or X-ray crystallography demonstrates that such ‘hot spot’ re...

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Detalles Bibliográficos
Main Authors: Brenke, Ryan, Kozakov, Dima, Chuang, Gwo-Yu, Beglov, Dmitri, Hall, David, Landon, Melissa R., Mattos, Carla, Vajda, Sandor
Formato: Artigo
Idioma:Inglês
Publicado: Oxford University Press 2009
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2647826/
https://ncbi.nlm.nih.gov/pubmed/19176554
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btp036
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