(Q30697040)

17 October 2017

Inference of structure ensembles of flexible biomolecules from sparse, averaged data (English)

1 reference

17 October 2017

3

1 reference

17 October 2017

2

Jes Frellsen

0 references

Thomas Hamelryck

object named as

Thomas Hamelryck

series ordinal

5

0 references

Kantilal Mardia

series ordinal

4

object named as

Kanti V Mardia

1 reference

17 October 2017

Simon Olsson

1

1 reference

PMC publication ID

3820694

17 October 2017

language of work or name

English

0 references

publication date

7 November 2013

1 reference

17 October 2017

7

0 references

published in

PLOS One

1 reference

17 October 2017

8

1 reference

17 October 2017

11

1 reference

17 October 2017

e79439

1 reference

Creative Commons Attribution 4.0 International

17 October 2017

start time

7 November 2013

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

PHAISTOS: a framework for Markov chain Monte Carlo simulation and inference of protein structure

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Generative probabilistic models extend the scope of inferential structure determination

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Potentials of mean force for protein structure prediction vindicated, formalized and generalized

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Protein stability, flexibility and function

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Modeling intrinsically disordered proteins with bayesian statistics

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Statistical mechanics analysis of sparse data

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Conformational space of flexible biological macromolecules from average data

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Beyond rotamers: a generative, probabilistic model of side chains in proteins

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

An effective all-atom potential for proteins

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

A generative, probabilistic model of local protein structure

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Deciphering protein dynamics from NMR data using explicit structure sampling and selection

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

A data-driven, systematic search algorithm for structure determination of denatured or disordered proteins

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Weighting of experimental evidence in macromolecular structure determination

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Modeling errors in NOE data with a log-normal distribution improves the quality of NMR structures

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Simultaneous determination of protein structure and dynamics.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Time-averaged nuclear Overhauser effect distance restraints applied to tendamistat

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Inferential structure determination.

20 June 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0079439

Determination of an ensemble of structures representing the denatured state of the bovine acyl-coenzyme a binding protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0079439

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.PONE.0079439

Quantitative description of backbone conformational sampling of unfolded proteins at amino acid resolution from NMR residual dipolar couplings.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0079439

Modeling protein conformational ensembles: from missing loops to equilibrium fluctuations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0079439

Maximum entropy approach to the determination of solution conformation of flexible polypeptides by global conformational analysis and NMR spectroscopy--application to DNS1-c-[D-A2,bu2,Trp4,Leu5]enkephalin and DNS1-c-[D-A2bu2,Trp4,D-Leu5]enkephalin.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0079439

On the Use of Experimental Observations to Bias Simulated Ensembles

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0079439

Accurate bond and angle parameters for X-ray protein structure refinement

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0079439

Ambiguous NOEs and automated NOE assignment

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0079439

Mapping Long-Range Interactions in α-Synuclein using Spin-Label NMR and Ensemble Molecular Dynamics Simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0079439

Time- and ensemble-averaged direct NOE restraints

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

On the nature of molecular conformations inferred from high-resolution NMR.

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3820694

Local structure due to an aromatic-amide interaction observed by 1H-nuclear magnetic resonance spectroscopy in peptides related to the N terminus of bovine pancreatic trypsin inhibitor

25 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24244505

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Mapping the population of protein conformational energy sub-states from NMR dipolar couplings

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24244505

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24244505

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1371/JOURNAL.PONE.0079439

1 reference

17 October 2017

0 references

1 reference

PMC publication ID

3820694

17 October 2017

PubMed publication ID

24244505

1 reference

PMC publication ID

3820694