Quantum chemical 13C(alpha) chemical shift calculations for protein NMR structure determination, refinement, and validation
about
SPARTA+: a modest improvement in empirical NMR chemical shift prediction by means of an artificial neural networkTALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shiftsQuantum-mechanics-derived 13Calpha chemical shift server (CheShift) for protein structure validationDetection of methylation, acetylation and glycosylation of protein residues by monitoring (13)C chemical-shift changes: A quantum-chemical studyServerification of molecular modeling applications: the Rosetta Online Server that Includes Everyone (ROSIE)Physics-based method to validate and repair flaws in protein structuresQuality assessment of protein NMR structures.Protein structural information derived from NMR chemical shift with the neural network program TALOS-N.Unique opportunities for NMR methods in structural genomics.A simple graphical approach to predict local residue conformation using NMR chemical shifts and density functional theory.Advances in protein NMR provided by the NIGMS Protein Structure Initiative: impact on drug discovery.Optical signatures of molecular dissymmetry: combining theory with experiments to address stereochemical puzzles.DNA structures from phosphate chemical shifts.Site-specific backbone amide (15)N chemical shift anisotropy tensors in a small protein from liquid crystal and cross-correlated relaxation measurements.Toward Closing the Gap: Quantum Mechanical Calculations and Experimentally Measured Chemical Shifts of a Microcrystalline Lectin.Analysis of 13Calpha and 13Cbeta chemical shifts of cysteine and cystine residues in proteins: a quantum chemical approach.VITAL NMR: using chemical shift derived secondary structure information for a limited set of amino acids to assess homology model accuracy.Chemical shift tensors: theory and application to molecular structural problems.Identification of helix capping and b-turn motifs from NMR chemical shiftsAssessing the accuracy of protein structures by quantum mechanical computations of 13C(alpha) chemical shifts.Improved chemical shift prediction by Rosetta conformational sampling.Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networksPerspective: Quantum mechanical methods in biochemistry and biophysics.Accurate ab initio prediction of NMR chemical shifts of nucleic acids and nucleic acids/protein complexes.Correction of erroneously packed protein's side chains in the NMR structure based on ab initio chemical shift calculations.A geometrical parametrization of C1'-C5' RNA ribose chemical shifts calculated by density functional theory.The protein amide ¹H(N) chemical shift temperature coefficient reflects thermal expansion of the N-H···O=C hydrogen bond.Automatic C chemical shift reference correction for unassigned protein NMR spectra
P2860
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P2860
Quantum chemical 13C(alpha) chemical shift calculations for protein NMR structure determination, refinement, and validation
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
2008年论文
@zh
2008年论文
@zh-cn
name
Quantum chemical 13C(alpha) ch ...... on, refinement, and validation
@en
type
label
Quantum chemical 13C(alpha) ch ...... on, refinement, and validation
@en
prefLabel
Quantum chemical 13C(alpha) ch ...... on, refinement, and validation
@en
P2093
P2860
P356
P1476
Quantum chemical 13C(alpha) ch ...... on, refinement, and validation
@en
P2093
Alexandre Kuzin
James M Aramini
Jayaraman Seetharaman
Jorge A Vila
Liang Tong
Paolo Rossi
P2860
P304
14389-14394
P356
10.1073/PNAS.0807105105
P407
P577
2008-09-11T00:00:00Z