scholarly journals Proton NMR Chemical Shift Behavior of Hydrogen-Bonded Amide Proton of Glycine-Containing Peptides and Polypeptides as Studied by ab initio MO Calculation

2002 ◽  
Vol 3 (8) ◽  
pp. 907-913 ◽  
Author(s):  
S. Hori ◽  
K. Yamauchi ◽  
S. Kuroki ◽  
I. Ando
Keyword(s):  
Chemical Shift ◽  
Ab Initio ◽  
Proton Nmr ◽  
Amide Proton ◽  
Nmr Chemical Shift ◽  
Mo Calculation ◽  
Shift Behavior ◽  
Ab Initio Mo ◽  
Hydrogen Bonded

Monitoring the Ligand Binding Mode by Proton NMR Chemical Shift Differences

ChemMedChem ◽  
2006 ◽  
Vol 1 (11) ◽  
pp. 1197-1199 ◽  
Author(s):  
Srisunder Subramaniam ◽  
Stephen L. Briggs ◽  
Allen D. Kline
Keyword(s):  
Chemical Shift ◽  
Ligand Binding ◽  
Proton Nmr ◽  
Binding Mode ◽  
Nmr Chemical Shift

Ab Initio NMR Chemical Shift Calculations Using Fragment Molecular Orbitals

2009 ◽  
Author(s):  
Satoshi Yokojima ◽  
Qi Gao ◽  
Shinichiro Nakamura ◽  
Dong-Qing Wei ◽  
Xi-Jun Wang
Keyword(s):  
Chemical Shift ◽  
Ab Initio ◽  
Molecular Orbitals ◽  
Nmr Chemical Shift ◽  
Chemical Shift Calculations
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