Improved ligand geometries in crystallographic refinement using AFITT in PHENIX

Modern crystal structure refinement programs rely on geometry restraints to overcome the challenge of a low data-to-parameter ratio. While the classical Engh and Huber restraints work well for standard amino-acid residues, the chemical complexity of small-molecule ligands presents a particular chall...

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Detalles Bibliográficos
Autores principales: Janowski, Pawel A., Moriarty, Nigel W., Kelley, Brian P., Case, David A., York, Darrin M., Adams, Paul D., Warren, Gregory L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5013598/
https://www.ncbi.nlm.nih.gov/pubmed/27599738
http://dx.doi.org/10.1107/S2059798316012225

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5013598/
https://www.ncbi.nlm.nih.gov/pubmed/27599738
http://dx.doi.org/10.1107/S2059798316012225

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