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AFNMR: automated fragmentation quantum mechanical calculation of NMR chemical shifts for biomolecules |
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| Authors: | Jason Swails Tong Zhu Xiao He David A. Case |
| Affiliation: | 1. Department of Chemistry and Chemical Biology and BioMaPS Institute, Rutgers University, Piscataway, NJ, 08854, USA 2. State Key Laboratory of Precision Spectroscopy, Institute of Theoretical and Computational Science, East China Normal University, Shanghai, 200062, China 3. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, 200062, China |
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