Progressive Stereo Locking (PSL): A Residual Dipolar Coupling Based Force Field Method for Determining the Relative Configuration of Natural Products and Other Small Molecules-Reference-Cited by-同舟云学术

Progressive Stereo Locking (PSL): A Residual Dipolar Coupling Based Force Field Method for Determining the Relative Configuration of Natural Products and Other Small Molecules

Published:2017-07-12 Issue:8 Volume:12 Page:2157-2163
ISSN:1554-8929
Container-title:ACS Chemical Biology
language:en
Short-container-title:ACS Chem. Biol.

Author:

Cornilescu Gabriel^ORCID,Ramos Alvarenga René F.¹,Wyche Thomas P.¹²^ORCID,Bugni Tim S.¹^ORCID,Gil Roberto R.³,Cornilescu Claudia C.,Westler William M.,Markley John L.^ORCID,Schwieters Charles D.⁴

Affiliation:

1. Pharmaceutical Sciences Division, School of Pharmacy, University of Wisconsin—Madison, Madison, Wisconsin 53705, United States

2. Biological Chemistry and Molecular Pharmacology Department, Harvard Medical School, Boston, Massachusetts 02115, United States

3. Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States

4. Center for Information Technology, National Institutes of Health, Bethesda, Maryland 20892-5624, United States

Funder

U.S. Department of Health and Human Services

Publisher

American Chemical Society (ACS)

Subject

Molecular Medicine,General Medicine,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acschembio.7b00281

Reference38 articles.

1. NMR in natural products: understanding conformation, configuration and receptor interactions

2. A CRITERION FOR ORBITAL HYBRIDIZATION AND CHARGE DISTRIBUTION IN CHEMICAL BONDS

3. The relationship between proton-proton NMR coupling constants and substituent electronegativities—I

4. Determination of Relative Configuration in Organic Compounds by NMR Spectroscopy and Computational Methods

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