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Le, Hong-biao, Pearson, John G., de Dios, Angel C., Oldfield, Eric (1995) Protein Structure Refinement and Prediction via NMR Chemical Shifts and Quantum Chemistry. Journal Of The American Chemical Society, 117 (13) 3800-3807 doi:10.1021/ja00118a016

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Reference TypeJournal (article/letter/editorial)
TitleProtein Structure Refinement and Prediction via NMR Chemical Shifts and Quantum Chemistry
JournalJournal Of The American Chemical Society
AuthorsLe, Hong-biaoAuthor
Pearson, John G.Author
de Dios, Angel C.Author
Oldfield, EricAuthor
Year1995 (April)Volume117
Issue13
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00118a016Search in ResearchGate
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Mindat Ref. ID1489077Long-form Identifiermindat:1:5:1489077:8
GUID0
Full ReferenceLe, Hong-biao, Pearson, John G., de Dios, Angel C., Oldfield, Eric (1995) Protein Structure Refinement and Prediction via NMR Chemical Shifts and Quantum Chemistry. Journal Of The American Chemical Society, 117 (13) 3800-3807 doi:10.1021/ja00118a016
Plain TextLe, Hong-biao, Pearson, John G., de Dios, Angel C., Oldfield, Eric (1995) Protein Structure Refinement and Prediction via NMR Chemical Shifts and Quantum Chemistry. Journal Of The American Chemical Society, 117 (13) 3800-3807 doi:10.1021/ja00118a016
In(1995, April) Journal Of The American Chemical Society Vol. 117 (13) American Chemical Society (ACS)

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Pearson, John G., Wang, Jin-Feng, Markley, John L., Le, Hong-biao, Oldfield, Eric (1995) Protein Structure Refinement Using Carbon-13 Nuclear Magnetic Resonance Spectroscopic Chemical Shifts and Quantum Chemistry. Journal Of The American Chemical Society, 117 (34) 8823-8829 doi:10.1021/ja00139a016
de Dios, Angel C., Pearson, John G., Oldfield, Eric (1993) Chemical shifts in proteins: an ab initio study of carbon-13 nuclear magnetic resonance chemical shielding in glycine, alanine, and valine residues. Journal Of The American Chemical Society, 115 (21) 9768-9773 doi:10.1021/ja00074a051
de Dios, Angel C., Oldfield, Eric (1994) Chemical Shifts of Carbonyl Carbons in Peptides and Proteins. Journal Of The American Chemical Society, 116 (25) 11485-11488 doi:10.1021/ja00104a031
de Dios, Angel C., Laws, David D., Oldfield, Eric (1994) Predicting Carbon-13 Nuclear Magnetic Resonance Chemical Shielding Tensors in Zwitterionic L-Threonine and L-Tyrosine via Quantum Chemistry. Journal Of The American Chemical Society, 116 (17) 7784-7786 doi:10.1021/ja00096a039
Laws, David D., Le, Hongbiao, de Dios, Angel C., Havlin, Robert H., Oldfield, Eric (1995) A Basis Size Dependence Study of Carbon-13 Nuclear Magnetic Resonance Spectroscopic Shielding in Alanyl and Valyl Fragments: Toward Protein Shielding Hypersurfaces. Journal Of The American Chemical Society, 117 (37) 9542-9546 doi:10.1021/ja00142a023
de Dios, Angel C., Oldfield, Eric (1994) Evaluating 19F Chemical Shielding in Fluorobenzenes: Implications for Chemical Shifts in Proteins. Journal Of The American Chemical Society, 116 (16) 7453-7454 doi:10.1021/ja00095a077
Pearson, John G., Le, Hongbiao, Sanders, Lori K., Godbout, Nathalie, Havlin, Robert H., Oldfield, Eric (1997) Predicting Chemical Shifts in Proteins:  Structure Refinement of Valine Residues by Usingab Initioand Empirical Geometry Optimizations†. Journal Of The American Chemical Society, 119 (49) 11941-11950 doi:10.1021/ja971461w
de Dios, Angel C., Oldfield, Eric (1994) Ab Initio Study of the Effects of Torsion Angles on Carbon-13 Nuclear Magnetic Resonance Chemical Shielding in N-Formyl-L-alanine Amide, N-Formyl-L-valine Amide, and Some Simple Model Compounds: Applications to Protein NMR Spectroscopy. Journal Of The American Chemical Society, 116 (12) 5307-5314 doi:10.1021/ja00091a040
de Dios, A., Pearson, J., Oldfield, E (1993) Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach. Science, 260 (5113). 1491-1496 doi:10.1126/science.8502992
Zhang, Yong, Oldfield, Eric (2008) NMR Hyperfine Shifts in Blue Copper Proteins:  A Quantum Chemical Investigation. Journal Of The American Chemical Society, 130 (12) 3814-3823 doi:10.1021/ja075978b
Arnold, William D., Oldfield, Eric (2000) The Chemical Nature of Hydrogen Bonding in Proteins via NMR: J-Couplings, Chemical Shifts, and AIM Theory. Journal Of The American Chemical Society, 122 (51) 12835-12841 doi:10.1021/ja0025705
 
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