Molecular simulations of protein disorder (Q37746989)

22 August 2017

1 reference

title

Molecular simulations of protein disorder (English)

1 reference

22 August 2017

Sarah Rauscher

1

1 reference

22 August 2017

Régis Pomès

series ordinal

2

1 reference

22 August 2017

publication date

1 April 2010

1 reference

Biochemistry and Cell Biology

22 August 2017

published in

1 reference

22 August 2017

volume

88

1 reference

22 August 2017

issue

2

1 reference

22 August 2017

page(s)

269-290

1 reference

Disordered flanks prevent peptide aggregation

22 August 2017

cites work

1 reference

Principles that govern the folding of protein chains

21 January 2018

1 reference

Natively unfolded protein stability as a coil-to-globule transition in charge/hydropathy space.

21 January 2018

1 reference

Are denatured proteins ever random coils?

21 January 2018

1 reference

Folding landscapes of ankyrin repeat proteins: experiments meet theory

21 January 2018

1 reference

Recombinant human elastin polypeptides self-assemble into biomaterials with elastin-like properties

21 January 2018

1 reference

21 January 2018

The Protein Data Bank

1 reference

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

21 January 2018

1 reference

Structural characterization of flexible proteins using small-angle X-ray scattering

21 January 2018

1 reference

The effects of conformational heterogeneity on the binding of the Notch intracellular domain to effector proteins: a case of biologically tuned disorder

21 January 2018

1 reference

Oxygen as a paramagnetic probe of clustering and solvent exposure in folded and unfolded states of an SH3 domain

21 January 2018

1 reference

Polyelectrostatic interactions of disordered ligands suggest a physical basis for ultrasensitivity

21 January 2018

1 reference

Combining prediction, computation and experiment for the characterization of protein disorder

21 January 2018

1 reference

Order propensity of an intrinsically disordered protein, the cyclin-dependent-kinase inhibitor Sic1

21 January 2018

1 reference

Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination

21 January 2018

1 reference

Recent developments for the efficient crystallographic refinement of macromolecular structures

21 January 2018

1 reference

Amyloid fibril formation can proceed from different conformations of a partially unfolded protein

21 January 2018

1 reference

Modelling of the complex between a 15-residue peptide from mSos2 and the N-terminal SH3 domain of Grb2 by molecular-dynamics simulation

21 January 2018

1 reference

TOP-IDP-scale: a new amino acid scale measuring propensity for intrinsic disorder

21 January 2018

1 reference

Calculation of ensembles of structures representing the unfolded state of an SH3 domain.

21 January 2018

1 reference

Biomolecular structure refinement based on adaptive restraints using local-elevation simulation.

21 January 2018

1 reference

Coarse-grained models of protein folding: toy models or predictive tools?

21 January 2018

1 reference

United we stand: combining structural methods

21 January 2018

1 reference

Fluorescence correlation spectroscopy shows that monomeric polyglutamine molecules form collapsed structures in aqueous solutions

21 January 2018

1 reference

Unfolded state of peptides

21 January 2018

1 reference

Denatured states of proteins

21 January 2018

1 reference

Protein folding and misfolding

21 January 2018

1 reference

Protein Folding: A Perspective from Theory and Experiment.

21 January 2018

1 reference

IUPred: web server for the prediction of intrinsically unstructured regions of proteins based on estimated energy content

21 January 2018

1 reference

The pairwise energy content estimated from amino acid composition discriminates between folded and intrinsically unstructured proteins.

21 January 2018

1 reference

Intrinsically disordered protein

21 January 2018

1 reference

Intrinsic disorder and protein function

21 January 2018

1 reference

The unfoldomics decade: an update on intrinsically disordered proteins.

21 January 2018

1 reference

Function and structure of inherently disordered proteins

21 January 2018

1 reference

Unfolded proteins and protein folding studied by NMR.

21 January 2018

1 reference

Intrinsically unstructured proteins and their functions

21 January 2018

1 reference

Biophysical characterization of intrinsically disordered proteins

21 January 2018

1 reference

Synthesis and properties of crosslinked recombinant pro-resilin

21 January 2018

1 reference

Leucine-rich hydrophobic clusters promote folding of the N-terminus of the intrinsically disordered transactivation domain of p53.

21 January 2018

1 reference

Rate of loop formation in peptides: a simulation study

21 January 2018

1 reference

A practical overview of protein disorder prediction methods

21 January 2018

1 reference

Loop formation in unfolded polypeptide chains on the picoseconds to microseconds time scale

21 January 2018

1 reference

Einfluss der Configuration auf die Wirkung der Enzyme

21 January 2018

1 reference

Functional amyloid--from bacteria to humans.

21 January 2018

1 reference

Describing partially unfolded states of proteins from sparse NMR data

21 January 2018

1 reference

Role of intrinsic flexibility in signal transduction mediated by the cell cycle regulator, p27 Kip1.

21 January 2018

1 reference

Prediction of amyloidogenic and disordered regions in protein chains

21 January 2018

1 reference

To be folded or to be unfolded?

21 January 2018

1 reference

Tight regulation of unstructured proteins: from transcript synthesis to protein degradation

21 January 2018

1 reference

Extended disordered proteins: targeting function with less scaffold

21 January 2018

1 reference

Conformation of prion protein repeat peptides probed by FRET measurements and molecular dynamics simulations

21 January 2018

1 reference

Intrinsic disorder is a common feature of hub proteins from four eukaryotic interactomes

21 January 2018

1 reference

Predicting intrinsic disorder in proteins: an overview

21 January 2018

1 reference

Biophysical and molecular mechanisms of Shaker potassium channel inactivation

21 January 2018

1 reference

The effect of a DeltaK280 mutation on the unfolded state of a microtubule-binding repeat in Tau

21 January 2018

1 reference

Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment

21 January 2018

1 reference

Intrinsic disorder in cell-signaling and cancer-associated proteins

21 January 2018

1 reference

Artificial nanopores that mimic the transport selectivity of the nuclear pore complex

21 January 2018

1 reference

Molecular dynamics simulations of biomolecules

21 January 2018

1 reference

Intramolecular cohesion of coils mediated by phenylalanine--glycine motifs in the natively unfolded domain of a nucleoporin

21 January 2018

1 reference

Formation of native and non-native interactions in ensembles of denatured ACBP molecules from paramagnetic relaxation enhancement studies

21 January 2018

1 reference

Flexible phenylalanine-glycine nucleoporins as entropic barriers to nucleocytoplasmic transport

21 January 2018

1 reference

GlobPlot: Exploring protein sequences for globularity and disorder

21 January 2018

1 reference

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

21 January 2018

1 reference

Intrinsic disorder in transcription factors

21 January 2018

1 reference

A robust approach for analyzing a heterogeneous structural ensemble

21 January 2018

1 reference

Ensemble-based convergence analysis of biomolecular trajectories

21 January 2018

1 reference

Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins.

21 January 2018

1 reference

Structure and disorder in an unfolded state under nondenaturing conditions from ensemble models consistent with a large number of experimental restraints

21 January 2018

1 reference

Sensitivity of secondary structure propensities to sequence differences between alpha- and gamma-synuclein: implications for fibrillation

21 January 2018

1 reference

Improved structural characterizations of the drkN SH3 domain unfolded state suggest a compact ensemble with native-like and non-native structure

21 January 2018

1 reference

On the Structure of Native, Denatured, and Coagulated Proteins

21 January 2018

1 reference

Atomic-level characterization of disordered protein ensembles

21 January 2018

1 reference

Dynamic equilibrium engagement of a polyvalent ligand with a single-site receptor

21 January 2018

1 reference

Prevention of amyloid-like aggregation as a driving force of protein evolution.

21 January 2018

1 reference

Molecular simulation of multistate peptide dynamics: a comparison between microsecond timescale sampling and multiple shorter trajectories

21 January 2018

1 reference

Structural disorder and dynamics of elastin

21 January 2018

1 reference

A synthetic resilin is largely unstructured

21 January 2018

1 reference

Systematic discovery of new recognition peptides mediating protein interaction networks

21 January 2018

1 reference

Experimental parameterization of an energy function for the simulation of unfolded proteins

21 January 2018

1 reference

Beyond molecular beacons: optical sensors based on the binding-induced folding of proteins and polypeptides

21 January 2018

1 reference

Comparing and combining predictors of mostly disordered proteins.

21 January 2018

1 reference

Exploration of partially unfolded states of human alpha-lactalbumin by molecular dynamics simulation

21 January 2018

1 reference

Meeting halfway on the bridge between protein folding theory and experiment

21 January 2018

1 reference

The Flory isolated-pair hypothesis is not valid for polypeptide chains: implications for protein folding

21 January 2018

1 reference

A polymer physics perspective on driving forces and mechanisms for protein aggregation

21 January 2018

1 reference

A structural model for Alzheimer's beta -amyloid fibrils based on experimental constraints from solid state NMR

21 January 2018

1 reference

UCSF Chimera--a visualization system for exploratory research and analysis

21 January 2018

1 reference

Quantitative observation of backbone disorder in native elastin

21 January 2018

1 reference

FoldIndex: a simple tool to predict whether a given protein sequence is intrinsically unfolded

21 January 2018

1 reference

ELM server: A new resource for investigating short functional sites in modular eukaryotic proteins

21 January 2018

1 reference

Intrinsic disorder and functional proteomics

21 January 2018

1 reference

Proline and glycine control protein self-organization into elastomeric or amyloid fibrils.

21 January 2018

1 reference

Simulated Tempering Distributed Replica Sampling, Virtual Replica Exchange, and Other Generalized-Ensemble Methods for Conformational Sampling

21 January 2018

1 reference

Assessing protein disorder and induced folding

21 January 2018

1 reference

Distributed Replica Sampling

21 January 2018

1 reference

Calculation of absolute protein-ligand binding free energy using distributed replica sampling

21 January 2018

1 reference

Sequence complexity of disordered protein

21 January 2018

1 reference

The jumping mechanism of Xenopsylla Cheopis I. Exoskeletal structures and musculature

21 January 2018

1 reference

Natively unstructured regions in proteins identified from contact predictions

21 January 2018

1 reference

Improved disorder prediction by combination of orthogonal approaches

21 January 2018

1 reference

The Xplor-NIH NMR molecular structure determination package

21 January 2018

1 reference

The Alzheimer's peptides Abeta40 and 42 adopt distinct conformations in water: a combined MD / NMR study

21 January 2018

1 reference

Construct optimization for protein NMR structure analysis using amide hydrogen/deuterium exchange mass spectrometry.

21 January 2018

1 reference

Error analysis and efficient sampling in Markovian state models for molecular dynamics

21 January 2018

1 reference

Using path sampling to build better Markovian state models: predicting the folding rate and mechanism of a tryptophan zipper beta hairpin

21 January 2018

1 reference

Insight into "insoluble proteins" with pure water

21 January 2018

1 reference

Replica-exchange molecular dynamics method for protein folding

21 January 2018

1 reference

Correlation of sequence hydrophobicities measures similarity in three-dimensional protein structure

21 January 2018

1 reference

The twilight zone between protein order and disorder

21 January 2018

1 reference

Intrinsically unstructured proteins

21 January 2018

1 reference

The interplay between structure and function in intrinsically unstructured proteins.

21 January 2018

1 reference

Fuzzy complexes: polymorphism and structural disorder in protein-protein interactions

21 January 2018

1 reference

Role of backbone-solvent interactions in determining conformational equilibria of intrinsically disordered proteins

21 January 2018

1 reference

Dynamics of alpha-synuclein aggregation and inhibition of pore-like oligomer development by beta-synuclein

21 January 2018

1 reference

Mechanism of alpha-synuclein oligomerization and membrane interaction: theoretical approach to unstructured proteins studies

21 January 2018

1 reference

Natively unfolded proteins: a point where biology waits for physics

21 January 2018

1 reference

Conformational constraints for amyloid fibrillation: the importance of being unfolded

21 January 2018

1 reference

Protein intrinsic disorder and human papillomaviruses: increased amount of disorder in E6 and E7 oncoproteins from high risk HPVs

21 January 2018

1 reference

Intrinsically Disordered Proteins in Human Diseases: Introducing the D 2 Concept

21 January 2018

1 reference

Unfoldomics of human diseases: linking protein intrinsic disorder with diseases

21 January 2018

1 reference

Molecular simulation as an aid to experimentalists.

21 January 2018

1 reference

Determination of conformationally heterogeneous states of proteins

21 January 2018

1 reference

Protein conformational transitions coupled to binding in molecular recognition of unstructured proteins: deciphering the effect of intermolecular interactions on computational structure prediction of the p27Kip1 protein bound to the cyclin A-cyclin-

21 January 2018

1 reference

Simulating disorder-order transitions in molecular recognition of unstructured proteins: where folding meets binding

21 January 2018

1 reference

ABSINTH: a new continuum solvation model for simulations of polypeptides in aqueous solutions

21 January 2018

1 reference

Quantitative characterization of intrinsic disorder in polyglutamine: insights from analysis based on polymer theories

21 January 2018

1 reference

Thermodynamics of beta-sheet formation in polyglutamine

21 January 2018

1 reference

PISCES: a protein sequence culling server

21 January 2018

1 reference

Characterizing the conformational ensemble of monomeric polyglutamine.

21 January 2018

1 reference

The DISOPRED server for the prediction of protein disorder

21 January 2018

1 reference

Prediction and Functional Analysis of Native Disorder in Proteins from the Three Kingdoms of Life

21 January 2018

1 reference

Reduced amino acid alphabet is sufficient to accurately recognize intrinsically disordered protein.

21 January 2018

1 reference

Distinguishing among structural ensembles of the GB1 peptide: REMD simulations and NMR experiments

21 January 2018

1 reference

Orientation of peptide fragments from Sos proteins bound to the N-terminal SH3 domain of Grb2 determined by NMR spectroscopy

21 January 2018

1 reference

Non-globular domains in protein sequences: automated segmentation using complexity measures

21 January 2018

1 reference

Intrinsically unstructured proteins: re-assessing the protein structure-function paradigm

21 January 2018

1 reference

Linking folding and binding

21 January 2018

1 reference

CDF it all: consensus prediction of intrinsically disordered proteins based on various cumulative distribution functions

21 January 2018

1 reference

A study of protein side-chain dynamics from new 2 H auto-correlation and 13 C cross-correlation NMR experiments: application to the N-terminal SH3 domain from drk 1 1Edited by P. E. Wright

21 January 2018

1 reference

Residual structure within the disordered C-terminal segment of p21(Waf1/Cip1/Sdi1) and its implications for molecular recognition.

21 January 2018

1 reference

Restoration of inactivation in mutants of Shaker potassium channels by a peptide derived from ShB.

21 January 2018

1 reference

Native-like mean structure in the unfolded ensemble of small proteins

21 January 2018

1 reference

Polymer models of protein stability, folding, and interactions.

21 January 2018

1 reference

Exploration of disorder in protein structures by X-ray restrained molecular dynamics

21 January 2018

1 reference

Mechanism of Helix Nucleation and Propagation: Microscopic View from Microsecond Time Scale MD Simulations

21 January 2018

1 reference

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

21 January 2018

1 reference

Molecular Dynamics Simulation of Peptide Folding

21 January 2018

1 reference

Loops in Proteins Can Be Modeled as Worm-Like Chains

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1139/O09-169

1 reference

release_rdjqmjxyvzflxlu6cax2vrpt5m

22 August 2017

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/rdjqmjxyvzflxlu6cax2vrpt5m

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference