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Molecular-dynamics simulation methods for macromolecular crystallography
It is investigated whether molecular-dynamics (MD) simulations can be used to enhance macromolecular crystallography (MX) studies. Historically, protein crystal structures have been described using a single set of atomic coordinates. Because conformational variation is important for protein function...
Autores principales: | Wych, David C., Aoto, Phillip C., Vu, Lily, Wolff, Alexander M., Mobley, David L., Fraser, James S., Taylor, Susan S., Wall, Michael E. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9815100/ https://www.ncbi.nlm.nih.gov/pubmed/36601807 http://dx.doi.org/10.1107/S2059798322011871 |
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