Replica exchange molecular dynamics of the thermodynamics of fibril growth of Alzheimer's Aβ42 peptide (Q35194368)

7 August 2017

title

Replica exchange molecular dynamics of the thermodynamics of fibril growth of Alzheimer's Aβ42 peptide (English)

1 reference

7 August 2017

0 references

0 references

Ming Han

1

1 reference

7 August 2017

Ulrich H E Hansmann

series ordinal

2

1 reference

7 August 2017

language of work or name

English

0 references

publication date

1 August 2011

1 reference

Journal of Chemical Physics

7 August 2017

published in

1 reference

7 August 2017

volume

135

1 reference

7 August 2017

issue

6

1 reference

7 August 2017

page(s)

065101

1 reference

Internal and environmental effects on folding and dimerization of the Alzheimer's β amyloid peptide

7 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Transmembrane structures for Alzheimer's Aβ(1-42) oligomers.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Thermodynamic perspective on the dock-lock growth mechanism of amyloid fibrils.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Dynamics of locking of peptides onto growing amyloid fibrils

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Replica exchange simulations of the thermodynamics of Abeta fibril growth

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Amyloid beta-protein monomer folding: free-energy surfaces reveal alloform-specific differences

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Role of water in mediating the assembly of Alzheimer amyloid-beta Abeta16-22 protofilaments

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Role of the region 23-28 in Abeta fibril formation: insights from simulations of the monomers and dimers of Alzheimer's peptides Abeta40 and Abeta42.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Self-assembly of amyloid-forming peptides by molecular dynamics simulations

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Structures and free-energy landscapes of the wild type and mutants of the Abeta(21-30) peptide are determined by an interplay between intrapeptide electrostatic and hydrophobic interactions

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

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

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Structure and dynamics of parallel beta-sheets, hydrophobic core, and loops in Alzheimer's A beta fibrils

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Monomer adds to preformed structured oligomers of Abeta-peptides by a two-stage dock-lock mechanism.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

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

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Spatial separation of beta-sheet domains of beta-amyloid: disruption of each beta-sheet by N-methyl amino acids

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Amyloid beta-protein monomer structure: a computational and experimental study.

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

3D structure of Alzheimer's amyloid-beta(1-42) fibrils

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Cell biology of protein misfolding: the examples of Alzheimer's and Parkinson's diseases

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Molecular dynamics simulation of amyloid beta dimer formation

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

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

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Paradigm shifts in Alzheimer's disease and other neurodegenerative disorders: the emerging role of oligomeric assemblies

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Alzheimer's disease amyloid propagation by a template-dependent dock-lock mechanism

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

13 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

The Alzheimer's beta amyloid (Abeta1-39) monomer in an implicit solvent.

13 July 2018

1 reference

The Alzheimer beta-amyloid (Abeta(1-39)) dimer in an implicit solvent

21 January 2018

1 reference

Structures and thermodynamics of Alzheimer's amyloid-beta Abeta(16-35) monomer and dimer by replica exchange molecular dynamics simulations: implication for full-length Abeta fibrillation

21 January 2018

1 reference

Probing the strand orientation and registry alignment in the propagation of amyloid fibrils

21 January 2018

1 reference

Kinetic analysis of beta-amyloid fibril elongation

21 January 2018

1 reference

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

21 January 2018

1 reference

Replica-exchange molecular dynamics method for protein folding

21 January 2018

1 reference

Abeta42 is more rigid than Abeta40 at the C terminus: implications for Abeta aggregation and toxicity

21 January 2018

1 reference

Dynamics of Asp23-Lys28 salt-bridge formation in Abeta10-35 monomers

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3166336

Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium

25 October 2018

1 reference

Dependence of folding dynamics and structural stability on the location of a hydrophobic pair in β-hairpins

21 January 2018

1 reference

In SilicoStudy of Full-Length Amyloid β 1−42 Tri- and Penta-Oligomers in Solution

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21842950

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Thermodynamics and Kinetics of Aggregation for the GNNQQNY Peptide

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21842950

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1063/1.3617250

1 reference

7 August 2017

1 reference

7 August 2017

1 reference