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Ambiguous NOEs and automated NOE assignment
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title
Ambiguous NOEs and automated NOE assignment
(English)
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main subject
automation
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author
Michael Nilges
object named as
Michael Nilges
series ordinal
1
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author name string
Seán I. O'Donoghue
series ordinal
2
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publication date
April 1998
0 references
published in
Progress in Nuclear Magnetic Resonance Spectroscopy
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volume
32
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issue
2
0 references
page(s)
107-139
0 references
cites work
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A novel approach for sequential assignment of 1H, 13C, and 15N spectra of proteins: heteronuclear triple-resonance three-dimensional NMR spectroscopy. Application to calmodulin
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A computer-based protocol for semiautomated assignments and 3D structure determination of proteins
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Direct measurement of angles between bond vectors in high-resolution NMR.
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Calculation of protein structures with ambiguous distance restraints. Automated assignment of ambiguous NOE crosspeaks and disulphide connectivities.
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inferred from DOI database lookup
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1 reference
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7 January 2021
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7 January 2021
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7 January 2021
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inferred from DOI database lookup
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7 January 2021
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7 January 2021
based on heuristic
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7 January 2021
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inferred from DOI database lookup
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1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
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1 reference
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Crossref
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7 January 2021
based on heuristic
inferred from DOI database lookup
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1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
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1 reference
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7 January 2021
based on heuristic
inferred from DOI database lookup
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1 reference
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reference URL
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7 January 2021
based on heuristic
inferred from DOI database lookup
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1 reference
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inferred from DOI database lookup
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inferred from DOI database lookup
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1 reference
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7 January 2021
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1 reference
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Crossref
reference URL
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7 January 2021
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Determination of three-dimensional structures of proteins from interproton distance data by hybrid distance geometry-dynamical simulated annealing calculations
1 reference
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Crossref
reference URL
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7 January 2021
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Global Fold Determination from a Small Number of Distance Restraints
1 reference
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Crossref
reference URL
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7 January 2021
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The NMR solution structure of intestinal fatty acid-binding protein complexed with palmitate: application of a novel distance geometry algorithm
1 reference
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Crossref
reference URL
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7 January 2021
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Determination of three-dimensional structures of proteins from interproton distance data by dynamical simulated annealing from a random array of atoms. Circumventing problems associated with folding
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS0079-6565%2897%2900025-3
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7 January 2021
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New applications of simulated annealing in X-ray crystallography and solution NMR.
1 reference
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Crossref
reference URL
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7 January 2021
based on heuristic
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Optimization by Simulated Annealing
1 reference
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Crossref
reference URL
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7 January 2021
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Equation of State Calculations by Fast Computing Machines
1 reference
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Crossref
reference URL
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7 January 2021
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Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS0079-6565%2897%2900025-3
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7 January 2021
based on heuristic
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Structure Determination from NOESY Intensities Using a Metropolis Simulated-Annealing (MSA) Refinement of Dihedral Angles
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS0079-6565%2897%2900025-3
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7 January 2021
based on heuristic
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Metropolis Monte Carlo calculations of DNA structure using internal coordinates and NMR distance restraints: an alternative method for generating a high-resolution solution structure.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS0079-6565%2897%2900025-3
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7 January 2021
based on heuristic
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Protein folding by restrained energy minimization and molecular dynamics
1 reference
stated in
Crossref
reference URL
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7 January 2021
based on heuristic
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A protein structure from nuclear magnetic resonance data. lac repressor headpiece
1 reference
stated in
Crossref
reference URL
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7 January 2021
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Solution conformation of a heptadecapeptide comprising the DNA binding helix F of the cyclic AMP receptor protein of Escherichia coli. Combined use of 1H nuclear magnetic resonance and restrained molecular dynamics.
1 reference
stated in
Crossref
reference URL
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7 January 2021
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Solution structure of the EcoRI DNA sequence: refinement of NMR-derived distance geometry structures by NOESY spectrum back-calculations
1 reference
stated in
Crossref
reference URL
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7 January 2021
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A structure refinement method based on molecular dynamics in four spatial dimensions.
1 reference
stated in
Crossref
reference URL
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7 January 2021
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Intrinsic nature of the three-dimensional structure of proteins as determined by distance geometry with good sampling properties.
1 reference
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Crossref
reference URL
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7 January 2021
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Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
1 reference
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Crossref
reference URL
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7 January 2021
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Molecular dynamics with coupling to an external bath
1 reference
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Crossref
reference URL
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7 January 2021
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A reduced representation of proteins for use in restraint satisfaction calculations
1 reference
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Crossref
reference URL
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7 January 2021
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Sampling and efficiency of metric matrix distance geometry: a novel partial metrization algorithm.
1 reference
stated in
Crossref
reference URL
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7 January 2021
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The conformation of loop E of eukaryotic 5S ribosomal RNA.
1 reference
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Crossref
reference URL
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7 January 2021
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Structure of the polyadenylation regulatory element of the human U1A pre-mRNA 3'-untranslated region and interaction with the U1A protein
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS0079-6565%2897%2900025-3
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7 January 2021
based on heuristic
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Torsion angle dynamics: reduced variable conformational sampling enhances crystallographic structure refinement
1 reference
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Crossref
reference URL
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7 January 2021
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New methodology for computer-aided modelling of biomolecular structure and dynamics. 1. Non-cyclic structures
1 reference
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Crossref
reference URL
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7 January 2021
based on heuristic
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Protein simulations using techniques suitable for very large systems: the cell multipole method for nonbond interactions and the Newton-Euler inverse mass operator method for internal coordinate dynamics
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS0079-6565%2897%2900025-3
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7 January 2021
based on heuristic
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Knowledge-based validation of protein structure coordinates derived by X-ray crystallography and NMR spectroscopy
1 reference
stated in
Crossref
reference URL
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7 January 2021
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AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR
1 reference
stated in
Crossref
reference URL
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7 January 2021
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"Ensemble" iterative relaxation matrix approach: a new NMR refinement protocol applied to the solution structure of crambin
1 reference
stated in
Crossref
reference URL
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7 January 2021
based on heuristic
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Loop mobility in a four-helix-bundle protein: nitrogen-15 NMR relaxation measurements on human interleukin-4
1 reference
stated in
Crossref
reference URL
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7 January 2021
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High-resolution structure of an HIV zinc fingerlike domain via a new NMR-based distance geometry approach
1 reference
stated in
Crossref
reference URL
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7 January 2021
based on heuristic
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Solution structure of omega-conotoxin MVIIC, a high affinity ligand of P-type calcium channels, using 1H NMR spectroscopy and complete relaxation matrix analysis
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS0079-6565%2897%2900025-3
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7 January 2021
based on heuristic
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Accurate bond and angle parameters for X-ray protein structure refinement
1 reference
stated in
Crossref
reference URL
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retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Deviations from planarity of the peptide bond in peptides and proteins
1 reference
stated in
Crossref
reference URL
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7 January 2021
based on heuristic
inferred from DOI database lookup
The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules
1 reference
stated in
Crossref
reference URL
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7 January 2021
based on heuristic
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Assessing the quality of solution nuclear magnetic resonance structures by complete cross-validation.
1 reference
stated in
Crossref
reference URL
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retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Recognition of errors in three-dimensional structures of proteins
1 reference
stated in
Crossref
reference URL
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retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Protein dynamics and distance determination by NOE measurements.
1 reference
stated in
Crossref
reference URL
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retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS0079-6565%2897%2900025-3
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Improving the quality of NMR and crystallographic protein structures by means of a conformational database potential derived from structure databases
1 reference
stated in
Crossref
reference URL
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7 January 2021
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10.1016/S0079-6565(97)00025-3
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