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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Netherlands
2012
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| Materias: | |
| 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 |