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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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Detalhes 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 em: Oxford University Press 2009
Assuntos:
Acesso em linha: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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