Density functional calculations of chemical shielding of backbone 15N in helical residues of protein G
Author:
Publisher
Springer Science and Business Media LLC
Subject
Spectroscopy,Biochemistry
Link
http://link.springer.com/content/pdf/10.1007/s10858-009-9358-3.pdf
Reference33 articles.
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3. Becke AD (1993) Density-functional thermochemistry. III. The role of exact exchange. J Chem Phys 98:5648–5652
4. Cai L, Fushman D, Kosov DS (2008) Density functional calculations of N-15 chemical shifts in solvated dipeptides. J Biomol NMR 41:77–88
5. Chesnut DB, Rusiloski BE, Moore KD, Egolf DA (1993) Use of locally dense basis-sets for nuclear magnetic resonance shielding calculations. J Comput Chem 14:1364–1375
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