Capturing its structural and thermodynamic properties in liquid and glass states remains challenging due to discrepancies between NMR, neutron scattering experiments, and all-atom (AA) simulations.
Nuclear magnetic resonance (NMR) spectroscopy is a technique that detects the chemical environment of atomic nuclei by the absorption of radio-frequency electromagnetic radiation when in the ...
Univ. Bordeaux, CNRS, Bordeaux INP, CBMN, UMR 5248, IECB, F-33607 Pessac, France ...
This approach led to the identification of 22 hits validated by molecular dynamics (MD) simulations and nuclear magnetic resonance (NMR) spectroscopy of which 11 were found to significantly interfere ...
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