Determination of Noncovalent Docking by Infrared Spectroscopy of Cold Gas-Phase Complexes
- 10 February 2012
- journal article
- other
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 335 (6069), 694-698
- https://doi.org/10.1126/science.1214948
Abstract
Ties That Bind: Almost by definition, effective catalysts bind their substrates for a very short time—releasing them quickly after helping them react and then moving on to bind new, as yet unreacted, substrates. This property engenders an efficient cycle, but it hinders study of the binding motif. Garand et al. (p. 694 , published online 19 January; see the Perspective by Zwier ) devised a technique to extract bound complexes from solution and freeze their conformations in cold, gas-phase clusters. Probing these clusters by vibrational spectroscopy in conjunction with theoretical calculations then allowed the sites of hydrogen bonding that hold the complexes together to be pinpointed.Keywords
This publication has 38 references indexed in Scilit:
- 2DIR Spectroscopy of Human Amylin Fibrils Reflects Stable β-Sheet StructureJournal of the American Chemical Society, 2011
- Synthesis of Atropisomerically Defined, Highly Substituted Biaryl Scaffolds through Catalytic Enantioselective Bromination and Regioselective Cross‐CouplingAngewandte Chemie-International Edition, 2011
- Vibrational Characterization of Simple Peptides Using Cryogenic Infrared Photodissociation of H2-Tagged, Mass-Selected IonsJournal of the American Chemical Society, 2011
- Attractive noncovalent interactions in asymmetric catalysis: Links between enzymes and small molecule catalystsProceedings of the National Academy of Sciences of the United States of America, 2010
- Dynamic Kinetic Resolution of Biaryl Atropisomers via Peptide-Catalyzed Asymmetric BrominationScience, 2010
- Spectroscopy and conformational preferences of gas-phase helicesPhysical Chemistry Chemical Physics, 2008
- Isolating the spectra of cluster ion isomers using Ar-“tag” -mediated IR-IR double resonance within the vibrational manifolds: Application to NO2−⋅H2OThe Journal of Chemical Physics, 2008
- The Many Roles of Computation in Drug DiscoveryScience, 2004
- Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An UpdateJournal of Physical and Chemical Reference Data, 1998
- Infrared spectra of benzoic acid monomers and dimers in argon matrixVibrational Spectroscopy, 1996