S. J. Wilkens

发表

HierS: hierarchical scaffold clustering using topological chemical graphs.

Andrew I Su, A. Su, Jeff Janes, 2005, Journal of medicinal chemistry.

Relational Database Driven Two‐Dimensional Chemical Graph Analysis

S. J. Wilkens, 2006, Chemical biology & drug design.

Natural J-coupling analysis: interpretation of scalar J-couplings in terms of natural bond orbitals.

W. M. Westler, J. Markley, F. Weinhold, 2001, Journal of the American Chemical Society.

Redox-Dependent Magnetic Alignment of Clostridium pasteurianum Rubredoxin: Measurement of Magnetic Susceptibility Anisotropy and Prediction of Pseudocontact Shift Contributions

Andrew L. Lee, W. M. Westler, J. Markley, 1999 .

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†

W. M. Westler, J. Markley, F. Weinhold, 1998 .

AMPLIFICATION OF ONE-BOND 1H/2H ISOTOPE EFFECTS ON 15N CHEMICAL SHIFTS IN CLOSTRIDIUM PASTEURIANUM RUBREDOXIN BY FERMI-CONTACT EFFECTS THROUGH HYDROGE N BONDS

W. M. Westler, J. Markley, S. J. Wilkens, 1998 .

Assignment of 1H, 13C, and 15N signals of reduced Clostridium pasteurianum rubredoxin: Oxidation state-dependent changes in chemical shifts and relaxation rates

J. Markley, B. Volkman, A. M. Prantner, 1997, Journal of biomolecular NMR.

Trans-hydrogen-bond (h2)J(NN) and (h1)J(NH) couplings in the DNA A-T base pair: natural bond orbital analysis.

W. M. Westler, J. Markley, F. Weinhold, 2002, Journal of the American Chemical Society.

Efforts toward expansion of the genetic alphabet: structure and replication of unnatural base pairs.

Peter G Schultz, Shigeo Matsuda, Floyd E Romesberg, 2007, Journal of the American Chemical Society.

1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.

A. Ayscough, A. Ivetac, A. Hendrick, 2017, Journal of Medicinal Chemistry.

Collagen stability: insights from NMR spectroscopic and hybrid density functional computational investigations of the effect of electronegative substituents on prolyl ring conformations.

John L Markley, Frank Weinhold, Ronald T Raines, 2002, Journal of the American Chemical Society.

Assignment of 1H, 13C, and 15N signals of oxidized Clostridium pasteurianum rubredoxin

J. Markley, B. Volkman, S. J. Wilkens, 1997, Journal of biomolecular NMR.

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

W. M. Westler, J. Markley, B. Volkman, 1998 .