TY  - JOUR
AU  - Calandrini, Vania
AU  - Abergel, Daniel
AU  - Kneller, Gerald R.
TI  - Fractional protein dynamics seen by nuclear magnetic resonance spectroscopy: Relating molecular dynamics simulation and experiment
JO  - The journal of chemical physics
VL  - 133
IS  - 14
SN  - 1089-7690
CY  - Melville, NY
PB  - American Institute of Physics
M1  - FZJ-2019-01837
SP  - 145101 -
PY  - 2010
AB  - We propose a fractional Brownian dynamics model for time correlation functions characterizing the internal dynamics of proteins probed by NMR relaxation spectroscopy. The time correlation functions are represented by a broad distribution of exponential functions which are characterized by two parameters. We show that the model describes well the restricted rotational motion of N–H vectors in the amide groups of lysozyme obtained from molecular dynamics simulation and that reliable predictions of experimental relaxation rates can be obtained on that basis.
LB  - PUB:(DE-HGF)16
C6  - pmid:20950048
UR  - <Go to ISI:>//WOS:000283200400071
DO  - DOI:10.1063/1.3486195
UR  - https://juser.fz-juelich.de/record/861355
ER  -