(Q30372281)

15 October 2017

1 reference

title

Structural biology by NMR: structure, dynamics, and interactions. (English)

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15 October 2017

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3

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author name string

Phineus R L Markwick

series ordinal

1

1 reference

15 October 2017

Thérèse Malliavin

series ordinal

2

1 reference

15 October 2017

language of work or name

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26 September 2008

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PLOS Computational Biology

15 October 2017

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15 October 2017

4

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15 October 2017

9

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15 October 2017

e1000168

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Creative Commons Attribution 4.0 International

15 October 2017

start time

26 September 2008

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

NMR Relaxation and Internal Dynamics of Ubiquitin from a 0.2 μs MD Simulation

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Consistent blind protein structure generation from NMR chemical shift data

4 June 2018

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3D structure determination of the Crh protein from highly ambiguous solid-state NMR restraints

4 June 2018

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A hierarchy of timescales in protein dynamics is linked to enzyme catalysis

4 June 2018

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Measurement of bond vector orientations in invisible excited states of proteins

4 June 2018

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Simultaneous definition of high resolution protein structure and backbone conformational dynamics using NMR residual dipolar couplings.

4 June 2018

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Protein structure determination from NMR chemical shifts

4 June 2018

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Evaluating protein structures determined by structural genomics consortia

4 June 2018

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ARIA2: automated NOE assignment and data integration in NMR structure calculation

4 June 2018

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Simultaneous determination of protein backbone structure and dynamics from residual dipolar couplings.

4 June 2018

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Visualization of transient encounter complexes in protein-protein association.

4 June 2018

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A polynomial-time algorithm for de novo protein backbone structure determination from nuclear magnetic resonance data.

4 June 2018

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Proton-proton Overhauser NMR spectroscopy with polypeptide chains in large structures

4 June 2018

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Automated protein structure determination from NMR spectra.

4 June 2018

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Comparison of multiple Amber force fields and development of improved protein backbone parameters

4 June 2018

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Solution NMR in structural genomics

4 June 2018

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Detecting transient intermediates in macromolecular binding by paramagnetic NMR.

4 June 2018

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Optimal isotope labelling for NMR protein structure determinations.

4 June 2018

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Traditional biomolecular structure determination by NMR spectroscopy allows for major errors

4 June 2018

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Weighting of experimental evidence in macromolecular structure determination

4 June 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

A topology-constrained distance network algorithm for protein structure determination from NOESY data.

4 June 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Predicting internal protein dynamics from structures using coupled networks of hindered rotators.

4 June 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Refinement of multidomain protein structures by combination of solution small-angle X-ray scattering and NMR data

4 June 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

A structural model for unfolded proteins from residual dipolar couplings and small-angle x-ray scattering.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Intrinsic dynamics of an enzyme underlies catalysis

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Identification of slow correlated motions in proteins using residual dipolar and hydrogen-bond scalar couplings.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Statistical coil model of the unfolded state: resolving the reconciliation problem

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

NMR spectroscopy and protein structure determination: applications to drug discovery and development.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Recent developments in structural proteomics for protein structure determination.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Long-timescale simulation methods

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Clustering algorithms for identifying core atom sets and for assessing the precision of protein structure ensembles.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

RECOORD: a recalculated coordinate database of 500+ proteins from the PDB using restraints from the BioMagResBank

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

The CCPN data model for NMR spectroscopy: development of a software pipeline

4 June 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Protein structure elucidation from minimal NMR data: the CLOUDS approach.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

An integrated platform for automated analysis of protein NMR structures.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Molecular fragment replacement approach to protein structure determination by chemical shift and dipolar homology database mining.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Solution NMR structure of the 48-kDa IIAMannose-HPr complex of the Escherichia coli mannose phosphotransferase system

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Intrinsically unstructured proteins and their functions

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Protein NMR recall, precision, and F-measure scores (RPF scores): structure quality assessment measures based on information retrieval statistics

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Simultaneous determination of protein structure and dynamics.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Automation of NMR structure determination of proteins.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Mars -- robust automatic backbone assignment of proteins

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Automated NMR structure calculation with CYANA

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Low-populated folding intermediates of Fyn SH3 characterized by relaxation dispersion NMR.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Empirical force fields for biological macromolecules: overview and issues.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Nuclear magnetic resonance spectroscopy of high-molecular-weight proteins.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Completely automated, highly error-tolerant macromolecular structure determination from multidimensional nuclear overhauser enhancement spectra and chemical shift assignments

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

How much backbone motion in ubiquitin is required to account for dipolar coupling data measured in multiple alignment media as assessed by independent cross-validation?

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Rapid protein fold determination using unassigned NMR data

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

New approaches to the dynamic interpretation and prediction of NMR relaxation data from proteins.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

HADDOCK: a protein-protein docking approach based on biochemical or biophysical information

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Refinement of protein structures in explicit solvent

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Structure of a protein determined by solid-state magic-angle-spinning NMR spectroscopy

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Molecular dynamics and NMR spin relaxation in proteins

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Enzyme dynamics during catalysis

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Analysis of NMR relaxation data of biomolecules with slow domain motions using wobble-in-a-cone approximation

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Studying excited states of proteins by NMR spectroscopy.

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Backbone dynamics in dihydrofolate reductase complexes: role of loop flexibility in the catalytic mechanism

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Use of chemical shifts in macromolecular structure determination

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Functional dynamics in the active site of the ribonuclease binase

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Direct measurement of distances and angles in biomolecules by NMR in a dilute liquid crystalline medium

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

NMR evidence for slow collective motions in cyanometmyoglobin

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

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

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Time-averaged nuclear Overhauser effect distance restraints applied to tendamistat

4 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Direct Use of Unassigned Resonances in NMR Structure Calculations with Proxy Residues

4 June 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Determination of protein backbone structure using only residual dipolar couplings.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Docking of protein-protein complexes on the basis of highly ambiguous intermolecular distance restraints derived from 1H/15N chemical shift mapping and backbone 15N-1H residual dipolar couplings using conjoined rigid body/torsion angle dynamics.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Quantitative evaluation of experimental NMR restraints.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Inferential structure determination.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Structure validation of the Josephin domain of ataxin-3: conclusive evidence for an open conformation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

The precision of NMR structure ensembles revisited

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

A dynamic model for the structure of acyl carrier protein in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Local structure and anisotropic backbone dynamics from cross-correlated NMR relaxation in proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

A structural mode-coupling approach to 15N NMR relaxation in proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Evaluation of backbone proton positions and dynamics in a small protein by liquid crystal NMR spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Model-Free Analysis of Protein Backbone Motion from Residual Dipolar Couplings

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

A Thorough Dynamic Interpretation of Residual Dipolar Couplings in Ubiquitin

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Predicting slow structural transitions in macromolecular systems: Conformational flooding

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Persistence of native-like topology in a denatured protein in 8 M urea

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Highly populated turn conformations in natively unfolded tau protein identified from residual dipolar couplings and molecular simulation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Replica-Exchange Monte Carlo Scheme for Bayesian Data Analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Site-Specific Variations of Carbonyl Chemical Shift Anisotropies in Proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Fast peptidyl cis-trans isomerization within the flexible Gly-rich flaps of HIV-1 protease

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2518859

Quantitative dynamics and binding studies of the 20S proteasome by NMR

26 November 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Millisecond-timescale motions contribute to the function of the bacterial response regulator protein Spo0F

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PCBI.1000168

Two-state allosteric behavior in a single-domain signaling protein

21 January 2018

1 reference

12 December 2020

Contact model for the prediction of NMR N-H order parameters in globular proteins

1 reference

12 December 2020

Probing structure in invisible protein states with anisotropic NMR chemical shifts

1 reference

12 December 2020

Chemical shift anisotropy tensors of carbonyl, nitrogen, and amide proton nuclei in proteins through cross-correlated relaxation in NMR spectroscopy

1 reference

12 December 2020

Exploring multiple timescale motions in protein GB3 using accelerated molecular dynamics and NMR spectroscopy

1 reference

12 December 2020

Evidence for flexibility in the function of ribonuclease A

1 reference

12 December 2020

De novo determination of bond orientations and order parameters from residual dipolar couplings with high accuracy

1 reference

12 December 2020

10.1371/JOURNAL.PCBI.1000168

Identifiers

DOI

1 reference

journals/ploscb/MarkwickMN08

15 October 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

15 October 2017

PubMed publication ID

18818721

1 reference