Fitting side-chain NMR relaxation data using molecular simulations
F. Kümmerer, S. Orioli, D. Harding-Larsen, F. Hoffmann, Y. Gavrilov, K. Teilum, K. Lindorff-Larsen
The paper integrates side-chain NMR relaxation data with molecular dynamics simulations to improve the accuracy of protein dynamics models.
bioRxiv · Aug 18, 2020Biophysics