(Q36831891)

16 August 2017

1 reference

title

Structure calculation from NMR data (English)

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16 August 2017

Nilges M

1

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16 August 2017

1 October 1996

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Current Opinion in Structural Biology

16 August 2017

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16 August 2017

6

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16 August 2017

617-623

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16 August 2017

5

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Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMR-spectroscopy

16 August 2017

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Distance geometry and related methods for protein structure determination from NMR data

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

1 reference

7 January 2021

An evaluation of computational strategies for use in the determination of protein structure from distance constraints obtained by nuclear magnetic resonance.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Determination of three-dimensional structures of proteins by simulated annealing with interproton distance restraints. Application to crambin, potato carboxypeptidase inhibitor and barley serine proteinase inhibitor 2.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

A structure refinement method based on molecular dynamics in four spatial dimensions.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Intrinsic nature of the three-dimensional structure of proteins as determined by distance geometry with good sampling properties.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Torsion angle dynamics: reduced variable conformational sampling enhances crystallographic structure refinement

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

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

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

An Approach to the Structure Determination of Larger Proteins Using Triple Resonance NMR Experiments in Conjunction with Random Fractional Deuteration

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Global fold determination from a small number of distance restraints

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Comparison of the accuracy of protein solution structures derived from conventional and network-edited NOESY data

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Computationally efficient gradients for relaxation matrix-based structure refinement including the accommodation of internal motions.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Interproton distance bounds from 2D NOE intensities: effect of experimental noise and peak integration errors.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Loop mobility in a four-helix-bundle protein: nitrogen-15 NMR relaxation measurements on human interleukin-4

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Accounting for molecular mobility in structure determination based on nuclear magnetic resonance spectroscopic and X-ray diffraction data

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Parametrisation of time-averaged distance restraints in MD simulations.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Dynamic modelling of a helical peptide in solution using NMR data: multiple conformations and multi-spin effects

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Conformational Variability of Solution Nucelar Magnetic Resonance Structures

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Structure refinement with molecular dynamics and a Boltzmann-weighted ensemble.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Probability assessment of conformational ensembles: sugar repuckering in a DNA duplex in solution

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

NMR cross-relaxation investigated by molecular dynamics simulation: a case study of ubiquitin in solution.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Internal mobility in the partially folded DNA binding and dimerization domains of GAL4: NMR analysis of the N-H spectral density functions

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Measurement of homo- and heteronuclear J couplings from quantitative J correlation.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Conformation of valine side chains in ribonuclease T1 determined by NMR studies of homonuclear and heteronuclear 3J coupling constants

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Refinement of the NMR structures for acyl carrier protein with scalar coupling data

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

The impact of direct refinement against three-bond HN-C alpha H coupling constants on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Coupling constants again: experimental restraints in structure refinement.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Structure refinement using time-averaged J-coupling constant restraints.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Application of 1H NMR chemical shifts to measure the quality of protein structures

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

The relationship between amide proton chemical shifts and secondary structure in proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

The impact of direct refinement against proton chemical shifts on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

The impact of direct refinement against 13C alpha and 13C beta chemical shifts on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Empirical correlation between protein backbone conformation and C.alpha. and C.beta. 13C nuclear magnetic resonance chemical shifts

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Chemical shifts and three-dimensional protein structures

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Calculation of protein structures with ambiguous distance restraints. Automated assignment of ambiguous NOE crosspeaks and disulphide connectivities.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Automated assignment of simulated and experimental NOESY spectra of proteins by feedback filtering and self-correcting distance geometry

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

A computer-based protocol for semiautomated assignments and 3D structure determination of proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Relaxation matrix refinement of the solution structure of squash trypsin inhibitor

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

A calculation strategy for the structure determination of symmetric dimers by 1H NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Calculation of symmetric multimer structures from NMR data using a priori knowledge of the monomer structure, co-monomer restraints, and interface mapping: The case of leucine zippers.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Structure of the dsRNA binding domain of E. coli RNase III.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

A general Bayesian method for an automated signal class recognition in 2D NMR spectra combined with a multivariate discriminant analysis.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Three-dimensional structure and stability of the KH domain: molecular insights into the fragile X syndrome

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Structure of the pleckstrin homology domain from beta-spectrin.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Structure of the binding site for inositol phosphates in a PH domain

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Automated assignment of multidimensional nuclear magnetic resonance spectra.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Protein three-dimensional structure determination and sequence-specific assignment of 13C and 15N-separated NOE data. A novel real-space ab initio approach

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

Assessing the quality of solution nuclear magnetic resonance structures by complete cross-validation.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980027-3

7 January 2021

10.1016/S0959-440X(96)80027-3

Identifiers

DOI

1 reference

16 August 2017

1 reference

PubMed ID

8913683