Title : From NMR relaxation to fractional Brownian dynamics in proteins: results from a virtual experiment.

Pub. Date : 2011 Nov 3

PMID : 21842881






1 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Starting from a molecular dynamics simulation of the 266 residue protein 6PGL in explicit water, we construct virtual (15)N R(1), R(2), and NOE relaxation rates at two different magnetic fields, including artificial noise, and test how far the parameters obtained from a fit of the model to the virtual experimental data coincide with those obtained from an analysis of the MD time correlation functions that have been used to construct these data. Water 6-phosphogluconolactonase Homo sapiens