Exploring ligand dynamics in protein crystal structures with ensemble refinement

Understanding the dynamics of ligands bound to proteins is an important task in medicinal chemistry and drug design. However, the dominant technique for determining protein–ligand structures, X-ray crystallography, does not fully account for dynamics and cannot accurately describe the movements of l...

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Detalles Bibliográficos
Autores principales: Caldararu, Octav, Ekberg, Vilhelm, Logan, Derek T., Oksanen, Esko, Ryde, Ulf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8329865/
https://www.ncbi.nlm.nih.gov/pubmed/34342282
http://dx.doi.org/10.1107/S2059798321006513

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8329865/
https://www.ncbi.nlm.nih.gov/pubmed/34342282
http://dx.doi.org/10.1107/S2059798321006513

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