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FTMAP: extended protein mapping with user-selected probe molecules

Binding hot spots, protein sites with high-binding affinity, can be identified using X-ray crystallography or NMR by screening libraries of small organic molecules that tend to cluster at such regions. FTMAP, a direct computational analog of the experimental screening approaches, globally samples th...

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Detalles Bibliográficos
Autores principales: Ngan, Chi Ho, Bohnuud, Tanggis, Mottarella, Scott E., Beglov, Dmitri, Villar, Elizabeth A., Hall, David R., Kozakov, Dima, Vajda, Sandor
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394268/
https://www.ncbi.nlm.nih.gov/pubmed/22589414
http://dx.doi.org/10.1093/nar/gks441