Cargando…

Improving sampling of crystallographic disorder in ensemble refinement

Ensemble refinement, the application of molecular dynamics to crystallographic refinement, explicitly models the disorder inherent in macromolecular structures. These ensemble models have been shown to produce more accurate structures than traditional single-model structures. However, suboptimal sam...

Descripción completa

Detalles Bibliográficos
Autores principales: Ploscariu, Nicoleta, Burnley, Tom, Gros, Piet, Pearce, Nicholas M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8561732/
https://www.ncbi.nlm.nih.gov/pubmed/34726164
http://dx.doi.org/10.1107/S2059798321010044

Ejemplares similares