A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide GNNQQNY from the Yeast Prion Sup-35

GNNQQNY—Investigation of Early Steps during Amyloid Formation

(2010) Allam S. Reddy et al.   BIOPHYSICAL JOURNAL

Low molecular weight oligomers of amyloid peptides display β-barrel conformations: A replica exchange molecular dynamics study in explicit solvent

(2010) Alfonso De Simone et al.   JOURNAL OF CHEMICAL PHYSICS

Amyloid Fibril Polymorphism Is under Kinetic Control

(2010) Riccardo Pellarin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural polymorphism of Alzheimer Aβ and other amyloid fibrils

(2010) Marcus Fändrich et al.   Prion

A Triple-Emission Fluorescent Probe Reveals Distinctive Amyloid Fibrillar Polymorphism of Wild-Type α-Synuclein and Its Familial Parkinson’s Disease Mutants

(2009) M. Soledad Celej et al.   BIOCHEMISTRY

Evidence for Novel β-Sheet Structures in Iowa Mutant β-Amyloid Fibrils

(2009) Robert Tycko et al.   BIOCHEMISTRY

Thermodynamic Description of Polymorphism in Q- and N-Rich Peptide Aggregates Revealed by Atomistic Simulation

(2009) Joshua T. Berryman et al.   BIOPHYSICAL JOURNAL

Fibril Fragmentation Enhances Amyloid Cytotoxicity

(2009) Wei-Feng Xue et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structural diversity of the soluble trimers of the human amylin(20–29) peptide revealed by molecular dynamics simulations

(2009) Yuxiang Mo et al.   JOURNAL OF CHEMICAL PHYSICS

Comparison between integrated and parallel tempering methods in enhanced sampling simulations

(2009) Lijiang Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Factors That Affect the Degree of Twist in β-Sheet Structures: A Molecular Dynamics Simulation Study of a Cross-β Filament of the GNNQQNY Peptide

(2009) Xavier Periole et al.   JOURNAL OF PHYSICAL CHEMISTRY B

PEP-FOLD: an online resource for de novo peptide structure prediction

(2009) J. Maupetit et al.   NUCLEIC ACIDS RESEARCH

Structure-neurotoxicity relationships of amyloid  -protein oligomers

(2009) K. Ono et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An Analytical Solution to the Kinetics of Breakable Filament Assembly

(2009) T. P. J. Knowles et al.   SCIENCE

Thermodynamic Selection of Steric Zipper Patterns in the Amyloid Cross-β Spine

(2009) Jiyong Park et al.   PLoS Computational Biology

Polymorphism in an Amyloid‐Like Fibril‐Forming Model Peptide

(2008) René Verel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: Antiparallel versus parallel association

(2008) Luigi Vitagliano et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Investigating the Mechanism of Peptide Aggregation: Insights from Mixed Monte Carlo-Molecular Dynamics Simulations

(2008) Massimiliano Meli et al.   BIOPHYSICAL JOURNAL

All-Atom Computer Simulations of Amyloid Fibrils Disaggregation

(2008) Jun Wang et al.   BIOPHYSICAL JOURNAL

Role of the Region 23-28 in Aβ Fibril Formation: Insights from Simulations of the Monomers and Dimers of Alzheimers Peptides Aβ40 and Aβ42

(2008) Adrien Melquiond et al.   Current Alzheimer Research

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

(2008) Guanghong Wei   Frontiers in Bioscience-Landmark

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Aβ(1-40) Fibril Polymorphism Implies Diverse Interaction Patterns in Amyloid Fibrils

(2008) Jessica Meinhardt et al.   JOURNAL OF MOLECULAR BIOLOGY

Annular Structures as Intermediates in Fibril Formation of Alzheimer Aβ17−42

(2008) Jie Zheng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Self-Assembly of the β2-Microglobulin NHVTLSQ Peptide Using a Coarse-Grained Protein Model Reveals a β-Barrel Species

(2008) Wei Song et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Replica Exchange Molecular Dynamics Simulations of Coarse-grained Proteins in Implicit Solvent

(2008) Yassmine Chebaro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structural Insights into the Polymorphism of Amyloid-Like Fibrils Formed by Region 20−29 of Amylin Revealed by Solid-State NMR and X-ray Fiber Diffraction

(2008) Jillian Madine et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Amyloid-β protein dimers isolated directly from Alzheimer's brains impair synaptic plasticity and memory

(2008) Ganesh M Shankar et al.   NATURE MEDICINE

EGCG redirects amyloidogenic polypeptides into unstructured, off-pathway oligomers

(2008) Dagmar E Ehrnhoefer et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

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

(2008) A. K. Paravastu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Formation and Growth of Oligomers: A Monte Carlo Study of an Amyloid Tau Fragment

(2008) Da-Wei Li et al.   PLoS Computational Biology

Spontaneous β-barrel formation: An all-atom Monte Carlo study of Aβ16–22 oligomerization

(2007) Anders Irbäck et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS