(Q35690998)

9 August 2017

title

Folding free-energy landscape of villin headpiece subdomain from molecular dynamics simulations (English)

1 reference

9 August 2017

1 reference

Chun Wu

2

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author name string

Hongxing Lei

series ordinal

1

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9 August 2017

Haiguang Liu

series ordinal

3

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9 August 2017

Yong Duan

series ordinal

4

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9 August 2017

language of work or name

English

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publication date

12 March 2007

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9 August 2017

number of pages

6

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Proceedings of the National Academy of Sciences of the United States of America

inferred from page(s)

published in

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9 August 2017

volume

104

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9 August 2017

issue

12

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9 August 2017

page(s)

4925-4930

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Identification of the PXW sequence as a structural gatekeeper of the headpiece C-terminal subdomain fold

9 August 2017

cites work

1 reference

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Using massively parallel simulation and Markovian models to study protein folding: examining the dynamics of the villin headpiece

27 July 2018

1 reference

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27 July 2018

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Folding cooperativity in a three-stranded beta-sheet model

27 July 2018

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Finding pathways between distant local minima

27 July 2018

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High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

Determination of ultrafast protein folding rates from loop formation dynamics

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

Probing site-specific conformational distributions in protein folding with solid-state NMR

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

Study of the Villin headpiece folding dynamics by combining coarse-grained Monte Carlo evolution and all-atom molecular dynamics.

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

Formation of partially ordered oligomers of amyloidogenic hexapeptide (NFGAIL) in aqueous solution observed in molecular dynamics simulations

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

Exploring protein native states and large-scale conformational changes with a modified generalized born model

27 July 2018

1 reference

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A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

27 July 2018

1 reference

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Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteins

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

Experimental tests of villin subdomain folding simulations

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing

27 July 2018

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Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing

27 July 2018

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Can a continuum solvent model reproduce the free energy landscape of a beta -hairpin folding in water?

27 July 2018

1 reference

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The role of aromatic residues in the hydrophobic core of the villin headpiece subdomain

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

The early stage of folding of villin headpiece subdomain observed in a 200-nanosecond fully solvated molecular dynamics simulation

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

NMR structure of the 35-residue villin headpiece subdomain

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1829241

Multistate folding of the villin headpiece domain

27 July 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Villin-type headpiece domains show a wide range of F-actin-binding affinities.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Peptide models provide evidence for significant structure in the denatured state of a rapidly folding protein: the villin headpiece subdomain

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Folding of the villin headpiece subdomain from random structures. Analysis of the charge distribution as a function of pH.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Enhanced ab initio protein folding simulations in Poisson-Boltzmann molecular dynamics with self-guiding forces

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Optimized parallel tempering simulations of proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Convergence of replica exchange molecular dynamics.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Parallel tempering simulations of HP-36.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

All-atom generalized-ensemble simulations of small proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Efficient sampling of protein structures by model hopping.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Breaking non-native hydrophobic clusters is the rate-limiting step in the folding of an alanine-based peptide

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Ab initio folding simulation of the Trp-cage mini-protein approaches NMR resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

The role of plastic beta-hairpin and weak hydrophobic core in the stability and unfolding of a full sequence design protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Denatured-state ensemble and the early-stage folding of the G29A mutant of the B-domain of protein A.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Elongation of ordered peptide aggregate of an amyloidogenic hexapeptide NFGAIL observed in molecular dynamics simulations with explicit solvent

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Molecular Dynamics Simulations and Free Energy Analyses on the Dimer Formation of an Amyloidogenic Heptapeptide from Human β2-Microglobulin: Implication for the Protofibril Structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0608432104

Dynamic NMR Line-Shape Analysis Demonstrates that the Villin Headpiece Subdomain Folds on the Microsecond Time Scale

21 January 2018

1 reference

12 December 2020

A thermostable 35-residue subdomain within villin headpiece

1 reference

12 December 2020

Free energy surfaces of miniproteins with a betabetaalpha motif: replica exchange molecular dynamics simulation with an implicit solvation model

1 reference

12 December 2020

Ab initio folding of helix bundle proteins using molecular dynamics simulations

1 reference

12 December 2020

All-atom fast protein folding simulations: the villin headpiece

1 reference

12 December 2020

Free-Energy Landscape of the Villin Headpiece in an All-Atom Force Field

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.0608432104

1 reference

9 August 2017

0 references

1 reference

9 August 2017

1 reference