(Q44868306)

7 December 2017

title

Computational approaches to fibril structure and formation (English)

1 reference

7 December 2017

Carol K Hall

1

1 reference

7 December 2017

Victoria A Wagoner

series ordinal

2

1 reference

7 December 2017

language of work or name

English

0 references

publication date

1 January 2006

1 reference

7 December 2017

published in

Methods in Enzymology

1 reference

7 December 2017

volume

412

1 reference

7 December 2017

page(s)

338-365

1 reference

Studies in Molecular Dynamics. I. General Method

7 December 2017

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Molecular dynamics simulations at constant pressure and/or temperature

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Amyloid beta -protein (Abeta) assembly: Abeta 40 and Abeta 42 oligomerize through distinct pathways

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Elucidation of primary structure elements controlling early amyloid beta-protein oligomerization.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Synchrotron X-ray studies suggest that the core of the transthyretin amyloid fibril is a continuous β-sheet helix

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Polyalanine-based peptides as models for self-associated beta-pleated-sheet complexes

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Inherent toxicity of aggregates implies a common mechanism for protein misfolding diseases

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Protofibrils, pores, fibrils, and neurodegeneration: separating the responsible protein aggregates from the innocent bystanders

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Solution conditions can promote formation of either amyloid protofilaments or mature fibrils from the HypF N-terminal domain

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Designing conditions for in vitro formation of amyloid protofilaments and fibrils

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Solution structure of amyloid beta-peptide(1-40) in a water-micelle environment. Is the membrane-spanning domain where we think it is?

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Mechanism for the alpha-helix to beta-hairpin transition

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Direct molecular dynamics observation of protein folding transition state ensemble

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

The structural basis of protein folding and its links with human disease

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Evaluation of a fast implicit solvent model for molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Structural characterization and 5'-mononucleotide binding of polyalanine beta-sheet complexes

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

The role of side-chain interactions in the early steps of aggregation: Molecular dynamics simulations of an amyloid-forming peptide from the yeast prion Sup35

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

A comparative study of amyloid fibril formation by residues 15-19 of the human calcitonin hormone: a single beta-sheet model with a small hydrophobic core

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Sorting out the driving forces for parallel and antiparallel alignment in the abeta peptide fibril structure

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Amyloid fibril formation and protein misassembly: a structural quest for insights into amyloid and prion diseases

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

The alternative conformations of amyloidogenic proteins and their multi-step assembly pathways

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Partially folded intermediates as critical precursors of light chain amyloid fibrils and amorphous aggregates.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

The beta-amyloid precursor protein (APP) and Alzheimer's disease: does the tail wag the dog?

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Molecular dynamics of native protein. I. Computer simulation of trajectories

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Molecular dynamics simulations of alanine rich beta-sheet oligomers: Insight into amyloid formation

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Stabilities and conformations of Alzheimer's beta -amyloid peptide oligomers (Abeta 16-22, Abeta 16-35, and Abeta 10-35): Sequence effects

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Spontaneous formation of annular structures observed in molecular dynamics simulations of polyglutamine peptides

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Kinetics of fibril formation by polyalanine peptides

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Phase diagrams describing fibrillization by polyalanine peptides

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Solvent effects on the conformational transition of a model polyalanine peptide

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Discrete molecular dynamics simulations of peptide aggregation

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Amyloid fibers are water-filled nanotubes

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Self-propagating, molecular-level polymorphism in Alzheimer's beta-amyloid fibrils

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Prion diseases and the BSE crisis

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Amyloid fibrillogenesis: themes and variations

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Implicit solvent models

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

In Silico Assembly of Alzheimer's Aβ16-22Peptide into β-Sheets

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

The protofilament substructure of amyloid fibrils11Edited by F. E. Cohen

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Alzheimer's amyloid fibrils: structure and assembly

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Assembly of a tetrameric alpha-helical bundle: computer simulations on an intermediate-resolution protein model

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

alpha-helix formation: discontinuous molecular dynamics on an intermediate-resolution protein model

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Protein refolding versus aggregation: computer simulations on an intermediate-resolution protein model

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Large-scale molecular dynamics study of entangled hard-chain fluids

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Replica-exchange molecular dynamics method for protein folding

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

The structure of amyloid fibrils by electron microscopy and X-ray diffraction

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Common core structure of amyloid fibrils by synchrotron X-ray diffraction.

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Probing the initial stage of aggregation of the Abeta(10-35)-protein: assessing the propensity for peptide dimerization

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Molecular dynamics simulation of amyloid beta dimer formation

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

In silico study of amyloid beta-protein folding and oligomerization

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Hsp70 and Hsp40 attenuate formation of spherical and annular polyglutamine oligomers by partitioning monomer

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

An all atom force field for simulations of proteins and nucleic acids

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Mapping abeta amyloid fibril secondary structure using scanning proline mutagenesis

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Alanine scanning mutagenesis of Abeta(1-40) amyloid fibril stability

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

Conformational analysis of the 20 naturally occurring amino acid residues using ECEPP

1 reference

https://api.crossref.org/works/10.1016%2FS0076-6879%2806%2912020-0

7 January 2021

10.1016/S0076-6879(06)12020-0

Identifiers

DOI

1 reference

7 December 2017

1 reference