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A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides
- Source :
- Chem. Commun.. 46:695-697
- Publication Year :
- 2010
- Publisher :
- Royal Society of Chemistry (RSC), 2010.
-
Abstract
- A combined experimental-computational method is reported for structure and dynamics elucidations of highly flexible open chain molecules in the solution state.
- Subjects :
- Magnetic Resonance Spectroscopy
Molecular Structure
Chemistry
Solution state
Metals and Alloys
Pilot Projects
General Chemistry
Nuclear magnetic resonance spectroscopy
Molecular Dynamics Simulation
Catalysis
Force field (chemistry)
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Solutions
Molecular dynamics
Peptide backbone
Computational chemistry
Materials Chemistry
Ceramics and Composites
Quantum Theory
Molecule
Oligopeptides
Subjects
Details
- ISSN :
- 1364548X and 13597345
- Volume :
- 46
- Database :
- OpenAIRE
- Journal :
- Chem. Commun.
- Accession number :
- edsair.doi.dedup.....c64ddeb97337d6c9c0a8c1c4ef0b98c1
- Full Text :
- https://doi.org/10.1039/b910499b