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...

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Detalles Bibliográficos
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.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Papers
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

Internet

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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