Ligand placement based on prior structures: the guided ligand-replacement method

The process of iterative structure-based drug design involves the X-ray crystal structure determination of upwards of 100 ligands with the same general scaffold (i.e. chemotype) complexed with very similar, if not identical, protein targets. In conjunction with insights from computational models and...

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Detalles Bibliográficos
Autores principales: Klei, Herbert E., Moriarty, Nigel W., Echols, Nathaniel, Terwilliger, Thomas C., Baldwin, Eric T., Pokross, Matt, Posy, Shana, Adams, Paul D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3919265/
https://www.ncbi.nlm.nih.gov/pubmed/24419386
http://dx.doi.org/10.1107/S1399004713030071

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3919265/
https://www.ncbi.nlm.nih.gov/pubmed/24419386
http://dx.doi.org/10.1107/S1399004713030071

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