Concepedia

Application of anisotropic NMR parameters to the confirmation of molecular structure

Yizhou Liu, Armando Navarro‐Vázquez, Roberto R. Gil, Christian Griesinger, Gary E. Martin

Nature Protocols · 2018 · 129 citations · 95 references

DOI

Concepts

References

95

Open Babel: An open chemical toolbox

Noel M. O’Boyle, Michael Banck, Craig A. James et al. · Journal of Cheminformatics · 2011 · 11.1K citations · Full text

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Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models

Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 1998 · 3.4K citations

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An internal-coordinate Monte Carlo method for searching conformational space

George Chang, Wayne C. Guida, W. Clark Still · Journal of the American Chemical Society · 1989 · 1.1K citations

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Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase

Gabriel Cornilescu, John L. Marquardt, Marcel Ottiger et al. · Journal of the American Chemical Society · 1998 · 925 citations

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Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase

Gabriel Cornilescu, John L. Marquardt, Marcel Ottiger et al. · Open MIND · 2007 · 673 citations · Full text

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