The description of protein internal motions aids selection of ligand binding poses by the INPHARMA method

Protein internal motions influence observables of NMR experiments. The effect of internal motions occurring at the sub-nanosecond timescale can be described by NMR order parameters. Here, we report that the use of order parameters derived from Molecular Dynamics (MD) simulations of two holo-structur...

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Detalles Bibliográficos
Autores principales: Stauch, Benjamin, Orts, Julien, Carlomagno, Teresa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2012
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3483107/
https://www.ncbi.nlm.nih.gov/pubmed/23001323
http://dx.doi.org/10.1007/s10858-012-9662-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3483107/
https://www.ncbi.nlm.nih.gov/pubmed/23001323
http://dx.doi.org/10.1007/s10858-012-9662-1

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