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In Silico Assessment of Potential Druggable Pockets on the Surface of α(1)-Antitrypsin Conformers

The search for druggable pockets on the surface of a protein is often performed on a single conformer, treated as a rigid body. Transient druggable pockets may be missed in this approach. Here, we describe a methodology for systematic in silico analysis of surface clefts across multiple conformers o...

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Detalles Bibliográficos
Autores principales:	Patschull, Anathe O. M., Gooptu, Bibek, Ashford, Paul, Daviter, Tina, Nobeli, Irene
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2012
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3348131/ https://www.ncbi.nlm.nih.gov/pubmed/22590577 http://dx.doi.org/10.1371/journal.pone.0036612

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