Protein chemical shift prediction is a branch of biomolecular nuclear magnetic resonance spectroscopy that aims to accurately calculate protein chemical shifts from protein coordinates. Protein chemical shift prediction was first attempted in the late 1960s using semi-empirical methods applied to protein structures solved by X-ray crystallography.[1] Since that time protein chemical shift prediction has evolved to employ much more sophisticated approaches including quantum mechanics, machine learning and empirically derived chemical shift hypersurfaces.[1] The most recently developed methods exhibit remarkable precision and accuracy.
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Proteinchemicalshiftprediction is a branch of biomolecular nuclear magnetic resonance spectroscopy that aims to accurately calculate protein chemical...
following decades. Linus Pauling is credited with the successful prediction of regular protein secondary structures based on hydrogen bonding, an idea first...
coordinates. Proteinchemicalshiftprediction (also known as proteinchemicalshift calculation) is particularly useful in verifying proteinchemicalshift assignments...
exhibit a small dispersion (<1 ppm) in their 1H amide chemicalshifts as measured by NMR. (Folded proteins typically show dispersions as large as 5 ppm for...
protein NMR Assignment Validation (PANAV) is a freely available stand-alone program that is used for proteinchemicalshift re-referencing. Chemical shift...
analysis Potential energy of proteinProtein dynamics Protein misfolding cyclic amplification Protein structure prediction software Proteopathy Time-resolved...
The chemicalshift index or CSI is a widely employed technique in protein nuclear magnetic resonance spectroscopy that can be used to display and identify...
PREDITOR (PREDIction of TORsion angles) is a freely available web-server for the prediction of protein torsion angles from chemicalshifts. For many years...
shift-based torsion angle prediction, and chemicalshift refinement. CS23D makes use of RefDB and ShiftX. CS23D accepts chemicalshift files in either SHIFTY...
called the "chemicalshift" with units of parts per million. The chemicalshift provides structural information. The conversion of chemicalshifts (and J's...
may be estimated accurately using the chemicalshifts of an initially unassigned NMR spectrum. Predicting protein tertiary structure from only its amino...
Protein primary structure is the linear sequence of amino acids in a peptide or protein. By convention, the primary structure of a protein is reported...
algorithms had to be programmed by hand; for problems such as protein structure prediction, this proved difficult. Machine learning techniques, such as...
related to the analysis and prediction of the three-dimensional structure of biological macromolecules such as proteins, RNA, and DNA. It deals with...
generation of protein benefits from knowledge of existing protein structures. This knowledge of existing protein structure assists with the prediction of new...
Single-Sequence Prediction of Protein Intrinsic Disorder by an Ensemble of Deep Recurrent and Convolutional Architectures". Journal of Chemical Information...
Portions of protein structures often deviate from the equilibrium state. Some such excursions are harmonic, such as stochastic fluctuations of chemical bonds...
fine chemicals are complex, single, pure chemical substances, produced in limited quantities in multipurpose plants by multistep batch chemical or biotechnological...
web browser plugins. Crystallographic database Protein structure Protein structure predictionProtein structure database PDBREPORT lists all anomalies...
Protein phosphorylation is a reversible post-translational modification of proteins in which an amino acid residue is phosphorylated by a protein kinase...
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