Chemical shifts in amino acids, peptides, and proteins: from quantum chemistry to drug design.
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Structure, Dynamics, Lipid Binding, and Physiological Relevance of the Putative GTPase-binding Domain of Dictyostelium Formin CAllostery and Substrate Channeling in the Tryptophan Synthase Bienzyme Complex: Evidence for Two Subunit Conformations and Four Quaternary StatesSite-specific perturbations of alpha-synuclein fibril structure by the Parkinson's disease associated mutations A53T and E46KToward direct determination of conformations of protein building units from multidimensional NMR experiments. V. NMR chemical shielding analysis of N-formyl-serinamide, a model for polar side-chain containing peptides.Protein structure refinement using 13C alpha chemical shift tensorsNMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination.A simple graphical approach to predict local residue conformation using NMR chemical shifts and density functional theory.Automated assignment of NMR chemical shifts based on a known structure and 4D spectra.Density functional calculations of 15N chemical shifts in solvated dipeptides.NMR crystallography of enzyme active sites: probing chemically detailed, three-dimensional structure in tryptophan synthaseNuclear spin relaxation in isotropic and anisotropic media.High resolution NMR spectroscopy of nanocrystalline proteins at ultra-high magnetic fieldAssignment strategies for large proteins by magic-angle spinning NMR: the 21-kDa disulfide-bond-forming enzyme DsbA.Probing site-specific conformational distributions in protein folding with solid-state NMRAnalysis of organic compounds in an urban wastewater treatment plant effluent.Determination of the orientation and dynamics of ergosterol in model membranes using uniform 13C labeling and dynamically averaged 13C chemical shift anisotropies as experimental restraints.Mutant protein A30P α-synuclein adopts wild-type fibril structure, despite slower fibrillation kineticsAssessing the accuracy of protein structures by quantum mechanical computations of 13C(alpha) chemical shifts.Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous (19)F-NMR spectra of fluorohistidine isomers and analogues.On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework.Assessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data.Position dependence of the 13C chemical shifts of alpha-helical model peptides. Fingerprint of the 20 naturally occurring amino acids.Ab initio calculations of NMR chemical shifts.Multidimensional solid state NMR of anisotropic interactions in peptides and proteins.Accurate ab initio prediction of NMR chemical shifts of nucleic acids and nucleic acids/protein complexes.Determination of 15N chemical shift anisotropy from a membrane-bound protein by NMR spectroscopyCytochrome-P450-cytochrome-b5 interaction in a membrane environment changes 15N chemical shift anisotropy tensors.Composite-180° pulse-based symmetry sequences to recouple proton chemical shift anisotropy tensors under ultrafast MAS solid-state NMR spectroscopy.Substrate-induced conformational changes in Escherichia coli arginyl-tRNA synthetase observed by 19F NMR spectroscopy.NMR analysis shows that a b-type variant of Hydrogenobacter thermophilus cytochrome c552 retains its native structure.Ion mobility-mass spectrometry applied to cyclic peptide analysis: conformational preferences of gramicidin S and linear analogs in the gas phase.Comparison of structure and dynamics of micelle-bound human alpha-synuclein and Parkinson disease variants.Evaluating electronic structure methods for accurate calculation of 19 F chemical shifts in fluorinated amino acids.Conformational distributions of denatured and unstructured proteins are similar to those of 20 × 20 blocked dipeptides.Determination of accurate backbone chemical shift tensors in microcrystalline proteins by integrating MAS NMR and QM/MM
P2860
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P2860
Chemical shifts in amino acids, peptides, and proteins: from quantum chemistry to drug design.
description
2001 nî lūn-bûn
@nan
2001 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@ast
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@en
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@nl
type
label
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@ast
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@en
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@nl
prefLabel
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@ast
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@en
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@nl
P1476
Chemical shifts in amino acids ...... ntum chemistry to drug design.
@en
P2093
Eric Oldfield
P304
P356
10.1146/ANNUREV.PHYSCHEM.53.082201.124235
P577
2001-10-04T00:00:00Z