Theoretical variation of the Hα chemical shift in Acetyl-glycyl-N-methylamide and oligoglycines with molecular conformation and environment

Spin—spin coupling and the conformational states of peptide systems

1976 • 788 citations

CHEMICAL SHIFTS IN THE NUCLEAR MAGNETIC RESONANCE SPECTRA OF MOLECULES CONTAINING POLAR GROUPS

1960 • 725 citations

Solution conformation of proteinase inhibitor IIA from bull seminal plasma by 1H nuclear magnetic resonance and distance geometry

1985 • 610 citations

Folding of immunogenic peptide fragments of proteins in water solution

1988 • 437 citations

Hydrogen bond length and proton NMR chemical shifts in proteins

1983 • 387 citations

NMR in Molecular Biology

1981 • 336 citations

The solution conformation of the antibacterial peptide cecropin A: a nuclear magnetic resonance and dynamical simulated annealing study

1988 • 282 citations

Microwave Spectrum, Structure, Dipole Moment, and Quadrupole Coupling Constants of Formamide

1957 • 281 citations

Protein conformation and proton nuclear‐magnetic‐resonance chemical shifts

1983 • 251 citations

Solution conformation of a heptadecapeptide comprising the DNA binding helix F of the cyclic AMP receptor protein of Escherichia coli

1985 • 248 citations

Magnetic Resonance Studies of Macromolecules. I. Aromatic-Methyl Interactions and Helical Structure Effects in Lysozyme^*

1967 • 145 citations

Theoretical studies of molecular conformation. Derivation of an additive procedure for the computation of intramolecular interaction energies. Comparison withab initio SCF computations

1984 • 138 citations

Nuclear magnetic resonance in diamagnetic materials. The theory of chemical shifts

1962 • 137 citations

Comparisons of ring-current shifts calculated from the crystal structure of egg white lysozyme of hen with the proton nuclear magnetic resonance spectrum of lysozyme in solution

1980 • 89 citations

Sequence‐specific resonance assignments in the ¹H nuclear‐magnetic‐resonance spectrum of the Lac repressor DNA‐binding domain 1–51 from Escherichia coli by two‐dimensional spectroscopy

1983 • 88 citations

Assignment of the 1H nuclear magnetic resonance spectrum of the proteinase inhibitor IIA from bull seminal plasma by two-dimensional nuclear magnetic resonance at 500 MHz

1983 • 80 citations

Hydrogen bonding in pure and aqueous formamide

1978 • 71 citations

Theoretical studies of molecular conformation. II: Application of the SIBFA procedure to molecules containing carbonyl and carboxylate oxygens and amide nitrogens

1985 • 48 citations

A 1H NMR study of the solution conformation of the neuropeptide Galanin

1990 • 44 citations

Nuclear magnetic resonance study of the solution structure of α1-purothionin

1987 • 43 citations

Molecular zeeman effect in formamide and the .alpha.-proton chemical shift in poly(L-alanine)

1972 • 42 citations

Comparative studies of conformation and internal mobility in native and circular basic pancreatic trypsin inhibitor by 1H nuclear magnetic resonance in solution

1985 • 25 citations

The conformations of triostin A in solution

1979 • 24 citations

Proton-NMR assignment and secondary structural elements of human transforming growth factor

1989 • 22 citations

Ab-initio Quantum Mechanical Calculations of NMR Chemical Shifts in Nucleic Acid Constituents I The Watson-Crick Base Pairs

1984 • 21 citations

Ab initio quantum mechanical calculations of the variation of the ¹H and ¹³C nuclear magnetic shielding constants in proline as a function of the angle ψ

1987 • 15 citations

Nonempirical quantum mechanical calculations of three contributions to the variation of nuclear magnetic shielding constants with intermolecular interactions. I. Method and applications to water and methane

1983 • 14 citations

Ab-initio Quantum Mechanical Calculations of NMR Chemical Shifts in Nucleic Acids Constituents III Chemical Shift Variations due to Base Stacking

1986 • 13 citations

On the atomic or “local” contributions to chemical shifts due to the anisotropy of the diamagnetic susceptibility of the aromatic side chain of amino acids and of the porphyrin ring

1981 • 10 citations