MSpin-RDC. A program for the use of residual dipolar couplings for structure elucidation of small molecules

2012 ◽  
Vol 50 ◽  
pp. S73-S79 ◽  
Author(s):  
Armando Navarro-Vázquez
Keyword(s):  
Small Molecules ◽  
Structure Elucidation ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings

One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple Stereocenters

2016 ◽  
Vol 81 (22) ◽  
pp. 11126-11131 ◽  
Author(s):  
Laura Castañar ◽  
Manuela Garcia ◽  
Erich Hellemann ◽  
Pau Nolis ◽  
Roberto R. Gil ◽  
...  
Keyword(s):  
Small Molecules ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings

Structural Discrimination in Small Molecules by Accurate Measurement of Long-Range Proton-Carbon NMR Residual Dipolar Couplings

2011 ◽  
Vol 123 (33) ◽  
pp. 7718-7722 ◽  
Author(s):  
Pablo Trigo-Mouriño ◽  
Armando Navarro-Vázquez ◽  
Jinfa Ying ◽  
Roberto R. Gil ◽  
Ad Bax
Keyword(s):  
Small Molecules ◽  
Long Range ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Nmr Residual Dipolar Couplings

scholarly journals Structural Discrimination in Small Molecules by Accurate Measurement of Long-Range Proton-Carbon NMR Residual Dipolar Couplings

2011 ◽  
Vol 50 (33) ◽  
pp. 7576-7580 ◽  
Author(s):  
Pablo Trigo-Mouriño ◽  
Armando Navarro-Vázquez ◽  
Jinfa Ying ◽  
Roberto R. Gil ◽  
Ad Bax
Keyword(s):  
Small Molecules ◽  
Long Range ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Nmr Residual Dipolar Couplings

Long-Range Residual Dipolar Couplings: A Tool for Determining the Configuration of Small Molecules

2015 ◽  
Vol 54 (43) ◽  
pp. 12706-12710 ◽  
Author(s):  
Nilamoni Nath ◽  
Edward J. d'Auvergne ◽  
Christian Griesinger
Keyword(s):  
Small Molecules ◽  
Long Range ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings

Long-Range Residual Dipolar Couplings: A Tool for Determining the Configuration of Small Molecules

2015 ◽  
Vol 127 (43) ◽  
pp. 12897-12901 ◽  
Author(s):  
Nilamoni Nath ◽  
Edward J. d'Auvergne ◽  
Christian Griesinger
Keyword(s):  
Small Molecules ◽  
Long Range ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings

scholarly journals Computer-Assisted 3D Structure Elucidation of Natural Products using Residual Dipolar Couplings

2017 ◽  
Vol 129 (13) ◽  
pp. 3714-3718 ◽  
Author(s):  
Eduardo Troche-Pesqueira ◽  
Clemens Anklin ◽  
Roberto R. Gil ◽  
Armando Navarro-Vázquez
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
Residual Dipolar Couplings ◽  
3D Structure ◽  
Dipolar Couplings ◽  
Computer Assisted

Direct prediction of residual dipolar couplings of small molecules in a stretched gel by stochastic molecular dynamics simulations

2015 ◽  
Vol 53 (3) ◽  
pp. 213-217 ◽  
Author(s):  
Andreas O. Frank ◽  
J. Christoph Freudenberger ◽  
Alexey K. Shaytan ◽  
Horst Kessler ◽  
Burkhard Luy
Keyword(s):  
Molecular Dynamics ◽  
Small Molecules ◽  
Molecular Dynamics Simulations ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Dynamics Simulations
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