Concepedia

Calculation of chemical shift anisotropy in proteins

Sishi Tang, David A. Case

Journal of Biomolecular NMR · 2011 · 40 citations · 42 references

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Concepts

References

42

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

, , +11

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

, , +17

Self-consistent perturbation theory of diamagnetism

R. Ditchfield · Molecular Physics · 1974 · 4.4K citations

, , +13

Consistent blind protein structure generation from NMR chemical shift data

Yang Shen, Oliver F. Lange, Frank Delaglio et al. · Proceedings of the National Academy of Sciences · 2008 · 864 citations · Full text

, , +16

Pairwise solute descreening of solute charges from a dielectric medium

Gregory D. Hawkins, Christopher J. Cramer, Donald G. Truhlar · Chemical Physics Letters · 1995 · 710 citations

, , +13