(Q30155897)

6 November 2017

Stability tests on known and misfolded structures with discrete and all atom molecular dynamics simulations (English)

1 reference

molecular dynamics simulation

6 November 2017

0 references

author name string

Sijung Yun

series ordinal

1

1 reference

PMCID

3104411

6 November 2017

H Robert Guy

series ordinal

2

1 reference

6 November 2017

13 December 2010

1 reference

Journal of Molecular Graphics & Modelling

6 November 2017

1 reference

6 November 2017

29

1 reference

6 November 2017

5

1 reference

6 November 2017

663-675

1 reference

Beta-barrel models of soluble amyloid beta oligomers and annular protofibrils

6 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Molecular structural basis for polymorphism in Alzheimer's -amyloid fibrils

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Ab initio folding of proteins with all-atom discrete molecular dynamics

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Role of electrostatic interactions in amyloid beta-protein (A beta) oligomer formation: a discrete molecular dynamics study

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Computer simulations of Alzheimer's amyloid beta-protein folding and assembly

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Ab initio discrete molecular dynamics approach to protein folding and aggregation

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Side-chain interactions determine amyloid formation by model polyglutamine peptides in molecular dynamics simulations

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Scalable molecular dynamics with NAMD

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Molecular origin of polyglutamine aggregation in neurodegenerative diseases

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

In silico study of amyloid beta-protein folding and oligomerization

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Molecular dynamics simulations of spontaneous fibril formation by random-coil peptides

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Energetics of hydrogen bonds in peptides.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Mechanism for the alpha-helix to beta-hairpin transition

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Molecular dynamics simulation of the SH3 domain aggregation suggests a generic amyloidogenesis mechanism

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Role of conserved residues in structure and stability: Tryptophans of human serum retinol-binding protein, a model for the lipocalin superfamily

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

NMR structure of free RGS4 reveals an induced conformational change upon binding Galpha

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Identifying the protein folding nucleus using molecular dynamics.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Discrete molecular dynamics studies of the folding of a protein-like model.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

VMD: visual molecular dynamics

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

A simple method for displaying the hydropathic character of a protein

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Elucidation of amyloid beta-protein oligomerization mechanisms: discrete molecular dynamics study.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Coarse-grained protein molecular dynamics simulations

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Multiscale modeling of nucleosome dynamics

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

A single disulfide bond differentiates aggregation pathways of beta2-microglobulin.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Direct Observation of Protein Folding, Aggregation, and a Prion-like Conformational Conversion

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Discrete molecular dynamics simulations of peptide aggregation

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3104411

Protein flexibility from discrete molecular dynamics simulations using quasi-physical potentials

26 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21215670

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

First-Order Disorder-to-Order Transition in an Isolated Homopolymer Model

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21215670

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Self-consistent estimation of inter-residue protein contact energies based on an equilibrium mixture approximation of residues

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21215670

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.JMGM.2010.12.002

1 reference

6 November 2017

1 reference

6 November 2017

1 reference

PMCID

3104411