Using quantum chemistry to estimate chemical shifts in biomolecules

Overview of attention for article published in Biophysical Chemistry, September 2020

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RT @LindorffLarsen: I in particular look forward to dig into the validation of the ensembles using QM-calculated chemical shifts. While emp…

I in particular look forward to dig into the validation of the ensembles using QM-calculated chemical shifts. While empirical models for CS of RNA exist, there is less data than for proteins to generate these, and this is a tricky area. Can also recomme…

#TBrecentpublication Using quantum chemistry to estimate chemical shifts in biomolecules https://t.co/ff5sxDUcdz

Using quantum chemistry to estimate chemical shifts in biomolecules https://t.co/XuB4MUGEJF #biophysics https://t.co/BTksegWRbp

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