검색결과 : 3건
| No. | Article |
|---|---|
| 1 |
AM1 Parameters for the Prediction of H-1 and C-13 NMR Chemical Shifts in Proteins Williams DE, Peters MB, Wang B, Roitberg AE, Merz KM Journal of Physical Chemistry A, 113(43), 11550, 2009 |
| 2 |
MNDO parameters for the prediction of F-19 NMR chemical shifts in biologically relevant compounds Williams DE, Peters MB, Wang B, Merz KM Journal of Physical Chemistry A, 112(37), 8829, 2008 |
| 3 |
Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction Rahat K, van der Vaart AJ, Riley KE, Peters MB, Westerhofft LM, Kim H, Merz KM Journal of the American Chemical Society, 127(18), 6583, 2005 |