Year |
Citation |
Score |
2002 |
DeRider ML, Wilkens SJ, Waddell MJ, Bretscher LE, Weinhold F, Raines RT, Markley JL. Collagen stability: insights from NMR spectroscopic and hybrid density functional computational investigations of the effect of electronegative substituents on prolyl ring conformations. Journal of the American Chemical Society. 124: 2497-505. PMID 11890798 DOI: 10.1021/Ja0166904 |
0.537 |
|
2002 |
Wilkens SJ, Westler WM, Weinhold F, Markley JL. Trans-hydrogen-bond (h2)J(NN) and (h1)J(NH) couplings in the DNA A-T base pair: natural bond orbital analysis. Journal of the American Chemical Society. 124: 1190-1. PMID 11841286 DOI: 10.1021/Ja017169C |
0.658 |
|
2001 |
Wilkens SJ, Westler WM, Markley JL, Weinhold F. Natural J-coupling analysis: interpretation of scalar J-couplings in terms of natural bond orbitals. Journal of the American Chemical Society. 123: 12026-36. PMID 11724611 DOI: 10.1021/Ja016284K |
0.615 |
|
1999 |
Volkman BF, Wilkens SJ, Lee AL, Xia B, Westler WM, Beger R, Markley JL. Redox-dependent magnetic alignment of Clostridium pasteurianum rubredoxin: Measurement of magnetic susceptibility anisotropy and prediction of pseudocontact shift contributions Journal of the American Chemical Society. 121: 4677-4683. DOI: 10.1021/Ja990079B |
0.626 |
|
1998 |
Wilkens SJ, Xia B, Volkman BF, Weinhold F, Markley JL, Westler WM. Inadequacies of the Point-Dipole Approximation for Describing Electron−Nuclear Interactions in Paramagnetic Proteins: Hybrid Density Functional Calculations and the Analysis of NMR Relaxation of High-Spin Iron(III) Rubredoxin The Journal of Physical Chemistry B. 102: 8300-8305. DOI: 10.1021/Jp982018Q |
0.663 |
|
1998 |
Xia B, Wilkens SJ, Westler WM, Markley JL. Amplification of one-bond 1H/1H isotope effects on 15N chemical shifts in Clostridium pasteurianum rubredoxin by fermi-contact effects through hydrogen bonds Journal of the American Chemical Society. 120: 4893-4894. DOI: 10.1021/Ja974167C |
0.613 |
|
1998 |
Wilkens SJ, Xia B, Weinhold F, Markley JL, Westler WM. Nmr investigations of clostridium pasteurianum rubredoxin. Origin of hyperfine 1H, 2H, 13C, and 15N NMR chemical shifts in iron- sulfur proteins as determined by comparison of experimental data with hybrid density functional calculations Journal of the American Chemical Society. 120: 4806-4814. DOI: 10.1021/Ja973489D |
0.686 |
|
1997 |
Prantner AM, Volkman BF, Wilkens SJ, Xia B, Markley JL. Assignment of 1H, 13C, and 15N signals of reduced Clostridium pasteurianum rubredoxin: oxidation state-dependent changes in chemical shifts and relaxation rates. Journal of Biomolecular Nmr. 10: 411-2. PMID 9460246 DOI: 10.1023/A:1018347418206 |
0.591 |
|
1997 |
Volkman BF, Prantner AM, Wilkens SJ, Xia B, Markley JL. Assignment of 1H, 13C, and 15N signals of oxidized Clostridium pasteurianum rubredoxin. Journal of Biomolecular Nmr. 10: 409-10. PMID 9460245 DOI: 10.1023/A:1018315801701 |
0.589 |
|
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