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Modeling a unit cell: crystallographic refinement procedure using the biomolecular MD simulation platform Amber

A procedure has been developed for the refinement of crystallographic protein structures based on the biomolecular simulation program Amber. The procedure constructs a model representing a crystal unit cell, which generally contains multiple protein molecules and is fully hydrated with TIP3P water....

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Detalles Bibliográficos
Autores principales: Mikhailovskii, Oleg, Xue, Yi, Skrynnikov, Nikolai R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8733891/
https://www.ncbi.nlm.nih.gov/pubmed/35059216
http://dx.doi.org/10.1107/S2052252521011891