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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2012
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| Materias: | |
| 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 |