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Author Details

Roberto R Gil
Carnegie Mellon University
1994
98
30
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
31715029Effect of the solvent on the conformation of monocrotaline as determined by isotropic and anisotropic NMR parameters.Magn Reson Chem2021
34609778Cross-Linked Poly-4-Acrylomorpholine: A Flexible and Reversibly Compressible Aligning Gel for Anisotropic NMR Analysis of Peptides and Small Molecules in Water.Angew Chem Int Ed Engl2021
32970418Deuterium Residual Quadrupolar Couplings: Crossing the Current Frontiers in the Relative Configuration Analysis of Natural Products.J Nat Prod2020
34094254Reference-free NOE NMR analysis.Chem Sci2020
31874039Herpotrichones A and B, Two Intermolecular [4 + 2] Adducts with Anti-Neuroinflammatory Activity from a <i>Herpotrichia</i> Species.Org Lett2020
31917516Computer-Assisted 3D Structure Elucidation (CASE-3D): The Structural Value of <sup>2</sup> J<sub>CH</sub> in Addition to <sup>3</sup> J<sub>CH</sub> Coupling Constants.Angew Chem Int Ed Engl2020
30605335Cyclic Peptide Design Guided by Residual Dipolar Couplings, J-Couplings, and Intramolecular Hydrogen Bond Analysis.J Org Chem2019
32015802Controlling magnetism of Au<sub>133</sub>(TBBT)<sub>52</sub> nanoclusters at single electron level and implication for nonmetal to metal transition.Chem Sci2019
30552410Application of anisotropic NMR parameters to the confirmation of molecular structure.Nat Protoc2019
29323895Computer-Assisted 3D Structure Elucidation (CASE-3D) of Natural Products Combining Isotropic and Anisotropic NMR Parameters.J Nat Prod2018
36789151Shape selective bifacial recognition of double helical DNA.Commun Chem2018
30359016Phytochemical Study of Senecio volckmannii Assisted by CASE-3D with Residual Dipolar Couplings and Isotropic <sup>1</sup>H/<sup>13</sup>C NMR Chemical Shifts.J Nat Prod2018
29384256Isotropic/Anisotropic NMR Editing by Resolution-Enhanced NMR Spectroscopy.Chemphyschem2018
29656574NMReDATA, a standard to report the NMR assignment and parameters of organic compounds.Magn Reson Chem2018
29562132Design of Bivalent Nucleic Acid Ligands for Recognition of RNA-Repeated Expansion Associated with Huntington's Disease.Biochemistry2018
29336087New Stretching Method for Aligning Gels: Its Application to the Measurement Residual Chemical Shift Anisotropies (RCSAs) without the Need for Isotropic Shift Correction.Chemistry2018
29327368Measurement of residual chemical shift anisotropies in compressed polymethylmethacrylate gels. Automatic compensation of gel isotropic shift contribution.Magn Reson Chem2018
26763068Di(ethylene glycol) methyl ether methacrylate (DEGMEMA)-derived gels align small organic molecules in methanol.Magn Reson Chem2017
28244621Computer-Assisted 3D Structure Elucidation of Natural Products using Residual Dipolar Couplings.Angew Chem Int Ed Engl2017
28121439Application of Residual Dipolar Couplings and Selective Quantitative NOE to Establish the Structures of Tetranortriterpenoids from Xylocarpus rumphii.J Nat Prod2017
28092787Perfect <sup>1</sup>J<sub>CH</sub>-resolved HSQC: Efficient measurement of one-bond proton-carbon coupling constants along the indirect dimension.J Magn Reson2017
28617580Progressive Stereo Locking (PSL): A Residual Dipolar Coupling Based Force Field Method for Determining the Relative Configuration of Natural Products and Other Small Molecules.ACS Chem Biol2017
28686954<sup>2</sup>J<sub>HH</sub>-resolved HSQC: Exclusive determination of geminal proton-proton coupling constants.J Magn Reson2017
28759743Highly resolved HSQC experiments for the fast and accurate measurement of homonuclear and heteronuclear coupling constants.J Magn Reson2017
28045254Homogeneous Catalysis Under Ultradilute Conditions: TAML/NaClO Oxidation of Persistent Metaldehyde.J Am Chem Soc2017
28043096Structural discrimination from in situ measurement of <sup>1</sup> D<sub>CH</sub> and <sup>2</sup> D<sub>HH</sub> residual dipolar coupling constants.Magn Reson Chem2017
28067511<sup>1</sup>J<sub>CH</sub> NMR Profile: Identification of Key Structural Features and Functionalities by Visual Observation and Direct Measurement of One-Bond Proton-Carbon Coupling Constants.J Org Chem2017
27743453Perspectives on the future of NMR, by the Associate Editors.Magn Reson Chem2017
27104362Conjugated Polymers with Repeated Sequences of Group 16 Heterocycles Synthesized through Catalyst-Transfer Polycondensation.J Am Chem Soc2016
35614730Synthesis of Polyfuran and Thiophene-Furan Alternating Copolymers Using Catalyst-Transfer Polycondensation.ACS Macro Lett2016
26515991Collection of NMR Scalar and Residual Dipolar Couplings Using a Single Experiment.Chemistry2016
27739109Mechanical Behavior of Polymer Gels for RDCs and RCSAs Collection: NMR Imaging Study of Buckling Phenomena.Chemistry2016
27709936One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple Stereocenters.J Org Chem2016
27294984Determination of Relative Configuration from Residual Chemical Shift Anisotropy.J Am Chem Soc2016
27088657TAML/H2O2 Oxidative Degradation of Metaldehyde: Pursuing Better Water Treatment for the Most Persistent Pollutants.Environ Sci Technol2016
25757046Stille Catalyst-Transfer Polycondensation Using Pd-PEPPSI-IPr for High-Molecular-Weight Regioregular Poly(3-hexylthiophene).Macromol Rapid Commun2015
26244606Crystal Structure of Barrel-Shaped Chiral Au130(p-MBT)50 Nanocluster.J Am Chem Soc2015
26068117Removal of ecotoxicity of 17α-ethinylestradiol using TAML/peroxide water treatment.Sci Rep2015
26060883Self-Sensitized Photooxygenation of 2H-Pyrans: Characterization of Unexpected Products Assisted by Computed Structural Elucidation and Residual Dipolar Couplings.J Org Chem2015
26214221Tri-icosahedral Gold Nanocluster [Au37(PPh3)10(SC2H4Ph)10X2](+): Linear Assembly of Icosahedral Building Blocks.ACS Nano2015
23559417Probing spatial distribution of alignment by deuterium NMR imaging.Chemistry2013
24105936Conformational analysis of the anti-obesity drug lorcaserin in water: how to take advantage of long-range residual dipolar couplings.Chemistry2013
22816295Determination of the absolute configuration of 19-OH-(-)-eburnamonine using a combination of residual dipolar couplings, DFT chemical shift predictions, and chiroptics.Nat Prod Commun2012
23280665New strategy for RDC-assisted diastereotopic proton assignment using a combination of J-scaled BIRD HSQC and J-scaled BIRD HMQC/HSQC.Magn Reson Chem2012
23280654MRC special issue on NMR of small molecules in anisotropic media.Magn Reson Chem2012
22992034Monoplatinum doping of gold nanoclusters and catalytic application.J Am Chem Soc2012
22955930In support of the BMRB.Nat Struct Mol Biol2012
22782933Is enantiomer assignment possible by NMR spectroscopy using residual dipolar couplings from chiral nonracemic alignment media?--A critical assessment.Angew Chem Int Ed Engl2012
21474310Potent antiprotozoal activity of a novel semi-synthetic berberine derivative.Bioorg Med Chem Lett2011
21833839Withanolides and related steroids.Prog Chem Org Nat Prod2011
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Collaborators

Ad Bax
National Institutes of Health
Co-authored papers 2
John L Markley
University of Wisconsin-Madison
Co-authored papers 2
Christoph Steinbeck
Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena
Co-authored papers 2
Wei He
Co-authored papers 2
Gordon S Rule
Carnegie Mellon University
Co-authored papers 2
Andrej Sali (CM4AI)
University of California San Francisco
Co-authored papers 1
Walter J Chazin
and Center for Structural Biology, Vanderbilt University
Co-authored papers 1
Bernd Reif
Technische Universitat Munchen (TUM)
Co-authored papers 1
Matthew P Crump
University of Bristol
Co-authored papers 1
Alexander P Golovanov
The University of Manchester
Co-authored papers 1
David A Case
Rutgers University
Co-authored papers 1
Oliver F Lange
Center for Integrated Protein Science, Technische Universitat Munchen
Co-authored papers 1
Gordon C K Roberts
Leicester Institute of Structural and Chemical Biology, University of Leicester
Co-authored papers 1
Josep Rizo
University of Texas Southwestern Medical Center
Co-authored papers 1
Mike P Williamson
The University of Sheffield
Co-authored papers 1
Lu-Yun Lian
Institute of Systems, The University of Liverpool
Co-authored papers 1
Igor L Barsukov
Institute of Integrative Biology, University of Liverpool
Co-authored papers 1
David E Shaw
Columbia University
Co-authored papers 1
Patrick C A van der Wel
Zernike Institute for Advanced Materials, University of Groningen
Co-authored papers 1
David Middleton
Co-authored papers 1
Ioannis Vakonakis
University of Oxford
Co-authored papers 1
Thomas A Frenkiel
The Medical Research Council Biomedical NMR Centre, The Francis Crick Institute
Co-authored papers 1
Ernest D Laue
University of Cambridge
Co-authored papers 1
Stephen Matthews
Imperial College London
Co-authored papers 1
Chien Ho
Carnegie Mellon University
Co-authored papers 1
Toshimichi Fujiwara
Institute for Protein Research, Osaka University
Co-authored papers 1
Pei Tang
Sichuan University
Co-authored papers 1
Joern Werner
Co-authored papers 1
Paul C Driscoll
The Francis Crick Institute
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Release 1.2