15 results on '"Case, David A."'
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2. Atomic structures of excited state A–T Hoogsteen base pairs in duplex DNA by combining NMR relaxation dispersion, mutagenesis, and chemical shift calculations
3. AFNMR: automated fragmentation quantum mechanical calculation of NMR chemical shifts for biomolecules
4. Calculation of chemical shift anisotropy in proteins
5. Major groove width variations in RNA structures determined by NMR and impact of 13C residual chemical shift anisotropy and 1H–13C residual dipolar coupling on refinement
6. Vibrational averaging of chemical shift anisotropies in model peptides
7. A new model for chemical shifts of amide hydrogens in proteins
8. Comparison of protein solution structures refined by molecular dynamics simulation in vacuum, with a generalized Born model, and with explicit water
9. Automated prediction of 15N, 13Cα, 13Cβ and 13C′ chemical shifts in proteins using a density functional database
10. Assessment of zinc finger orientations by residual dipolar coupling constants
11. Calculations of NMR dipolar coupling strengths in model peptides
12. Distributed torsion angle grid search in high dimensions: A systematic approach to NMR structure determination
13. Calibration of ring-current effects in proteins and nucleic acids
14. Analysis of proton chemical shifts in regular secondary structure of proteins
15. Major groove width variations in RNA structures determined by NMR and impact of 13C residual chemical shift anisotropy and 1H–13C residual dipolar coupling on refinement.
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