DOI: 10.1021/ct800241d. Direct Comparison of Experimental and Calculated NMR Scalar Coupling Constants for Force Field Validation and Adaptation

Direct Comparison of Experimental and Calculated NMR Scalar Coupling Constants for Force Field Validation and Adaptation

10.1021/ct800241d

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Schmid, F. F.-F., & Meuwly, M. (2008). Direct Comparison of Experimental and Calculated NMR Scalar Coupling Constants for Force Field Validation and Adaptation. Journal of Chemical Theory and Computation, 4(11), 1949â1958.

Authors 2

Franziska F.-F. Schmid (first)
Markus Meuwly (additional)

References 22 Referenced 9

10.1021/ja983945d / J. Am. Chem. Soc. by Cordier F. (1999)
10.1021/ja012674v / J. Am. Chem. Soc. by Barfield M. (2002)
10.1021/ja028875w / J. Am. Chem. Soc. by Markwick P. R. L. (2003)
10.1021/ja068336h / J. Am. Chem. Soc. by Sass H.-J. (2007)
10.1021/ja0614722 / J. Am. Chem. Soc. by Gsponer J. (2006)
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10.1002/jcc.540040211 / J. Comput. Chem. by Brooks B. R. (1983)
10.1016/S0022-2836(03)00148-7 / J. Mol. Biol. by Sprangers R. (2003)
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10.1021/bi00181a032 / Biochemistry by Gallagher T. (1994)
10.1006/jmbi.1994.1691 / J. Mol. Biol. by Derrick J. P. (1994)
Butterworth, S.; Lamzin, V. S.; Wigley, D. B.; Derrick, J. P.; Wilson, K. S.Anisotropic Refinement of a Protein G Domain at 1.1 Angstrom Resolution, in press.
10.1021/ja9909024 / J. Am. Chem. Soc. by Cornilescu G. (1999)
10.1016/0022-2836(87)90679-6 / J. Mol. Biol. by Vijay-Kumar S. (1987)
10.1021/ja9812610 / J. Am. Chem. Soc. by Cornilescu G. (1998)
{'key': 'ref16/cit16', 'first-page': '327', 'volume': '23', 'author': 'Ryckaert J.-P.', 'year': '1977', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Ryckaert J.-P. (1977)
{'key': 'ref17/cit17', 'volume-title': 'Gaussian 03', 'author': 'Frisch M. J', 'year': '2004'} / Gaussian 03 by Frisch M. J (2004)
10.1021/jp076501p / J. Phys. Chem. B Lett. by Thomas J. L. (2007)
10.1021/ct7000045 / J. Chem. Theor. Comp. by Showalter S. A. (2007)
10.1021/jp065323h / J. Phys. Chem. A by Lammers S. (2007)
10.1002/jcc.20864 / J. Comput. Chem. by Lammers S. (2008)
10.1529/biophysj.107.120519 / Biophys. J. by Plattner N. (2008)

Dates

Type	When
Created	16 years, 10 months ago (Oct. 25, 2008, 2:01 a.m.)
Deposited	2 years, 5 months ago (March 6, 2023, 4:18 a.m.)
Indexed	2 years, 1 month ago (July 5, 2023, 3:40 p.m.)
Issued	16 years, 10 months ago (Oct. 25, 2008)
Published	16 years, 10 months ago (Oct. 25, 2008)
Published Online	16 years, 10 months ago (Oct. 25, 2008)
Published Print	16 years, 9 months ago (Nov. 11, 2008)

Funders 0

None

BibTeX

@article{Schmid_2008, title={Direct Comparison of Experimental and Calculated NMR Scalar Coupling Constants for Force Field Validation and Adaptation}, volume={4}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct800241d}, DOI={10.1021/ct800241d}, number={11}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Schmid, Franziska F.-F. and Meuwly, Markus}, year={2008}, month=oct, pages={1949–1958} }

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