Title : Prediction of Bond Vector Autocorrelation Functions from Larmor Frequency-Selective Order Parameter Analysis of NMR Relaxation Data.

Pub. Date : 2017 Jul 11

PMID : 28541675






1 Functional Relationships(s)
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1 Excluding seven residues for which either experimental data is lacking or previous MD studies have indicated markedly divergent dynamics predictions, the CHARMM36-derived and experimentally derived 15N relaxation values for the remaining 48 amides of GB3 agree to an average of 0.016, 0.010, and 0.020 for the fast limit (Sf2) and Larmor frequency-selective (SH2 and SN2) order parameters, respectively. 15n alpha 1,4-galactosyltransferase (P blood group) Homo sapiens