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This page is a summary of: Automated Fragmentation Polarizable Embedding Density Functional Theory (PE-DFT) Calculations of Nuclear Magnetic Resonance (NMR) Shielding Constants of Proteins with Application to Chemical Shift Predictions, Journal of Chemical Theory and Computation, January 2017, American Chemical Society (ACS),
DOI: 10.1021/acs.jctc.6b00965.
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