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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....
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2021
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| 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 |