An Original Monomer Sampling from a Ready‐Made Aβ 42 NMR Fibril Suggests a Turn‐β‐Strand Synergetic Seeding Mechanism

Effect of pH on Aβ42 Monomer and Fibril-like Oligomers-Decoding in Silico of the Roles of pK Values of Charged Residues

(2018) Wei Zhao et al.   CHEMPHYSCHEM

Self-Assembly Pathways of β-Sheet-Rich Amyloid-β(1–40) Dimers: Markov State Model Analysis on Millisecond Hybrid-Resolution Simulations

(2017) Yang Cao et al.   Journal of Chemical Theory and Computation

Amyloid β Fibril Elongation by Monomers Involves Disorder at the Tip

(2017) Marco Bacci et al.   Journal of Chemical Theory and Computation

Probing oligomerization of amyloid beta peptide in silico

(2017) L. Dorosh et al.   Molecular BioSystems

Replica exchange molecular dynamics study of the truncated amyloid beta (11–40) trimer in solution

(2017) Son Tung Ngo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tautomeric Effect of Histidine on the Monomeric Structure of Amyloid β-Peptide(1–42)

(2016) Hu Shi et al.   ACS Chemical Neuroscience

Exploring the aggregation free energy landscape of the amyloid-β protein (1–40)

(2016) Weihua Zheng et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Rapid α-oligomer formation mediated by the Aβ C terminus initiates an amyloid assembly pathway

(2016) Pinaki Misra et al.   Nature Communications

An Analysis of Biomolecular Force Fields for Simulations of Polyglutamine in Solution

(2015) Aaron M. Fluitt et al.   BIOPHYSICAL JOURNAL

The Dependence of Amyloid-β Dynamics on Protein Force Fields and Water Models

(2015) Arun Kumar Somavarapu et al.   CHEMPHYSCHEM

Exploring the Alzheimer amyloid-β peptide conformational ensemble: A review of molecular dynamics approaches

(2015) Linh Tran et al.   PEPTIDES

Self-Assembly of Protein Fibrils into Suprafibrillar Aggregates: Bridging the Nano- and Mesoscale

(2014) Slav A. Semerdzhiev et al.   ACS Nano

Effect of the Tottori Familial Disease Mutation (D7N) on the Monomers and Dimers of Aβ40 and Aβ42

(2013) Man Hoang Viet et al.   ACS Chemical Neuroscience

The global prevalence of dementia: A systematic review and metaanalysis

(2013) Martin Prince et al.   Alzheimers & Dementia

Differences in β-strand Populations of Monomeric Aβ40 and Aβ42

(2013) K. Aurelia Ball et al.   BIOPHYSICAL JOURNAL

Comparing atomistic molecular mechanics force fields for a difficult target: a case study on the Alzheimer’s amyloid β-peptide

(2013) Stacey R. Gerben et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Aβ Monomers Transiently Sample Oligomer and Fibril-Like Configurations: Ensemble Characterization Using a Combined MD/NMR Approach

(2013) David J. Rosenman et al.   JOURNAL OF MOLECULAR BIOLOGY

Pulsed hydrogen–deuterium exchange mass spectrometry probes conformational changes in amyloid beta (Aβ) peptide aggregation

(2013) Ying Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Investigating How Peptide Length and a Pathogenic Mutation Modify the Structural Ensemble of Amyloid Beta Monomer

(2012) Yu-Shan Lin et al.   BIOPHYSICAL JOURNAL

C-Terminal Turn Stability Determines Assembly Differences between Aβ40 and Aβ42

(2012) Robin Roychaudhuri et al.   JOURNAL OF MOLECULAR BIOLOGY

Structures of the Amyloid β-Peptides Aβ1–40 and Aβ1–42 as Influenced by pH and a d-Peptide

(2012) Olujide O. Olubiyi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Dimer Formation Enhances Structural Differences between Amyloid β-Protein (1–40) and (1–42): An Explicit-Solvent Molecular Dynamics Study

(2012) Bogdan Barz et al.   PLoS One

Homogeneous and Heterogeneous Tertiary Structure Ensembles of Amyloid-β Peptides

(2011) K. Aurelia Ball et al.   BIOCHEMISTRY

Distinct Morphologies for Amyloid Beta Protein Monomer: Aβ1–40, Aβ1–42, and Aβ1–40(D23N)

(2011) Sébastien Côté et al.   Journal of Chemical Theory and Computation

Effects of all-atom force fields on amyloid oligomerization: replica exchange molecular dynamics simulations of the Aβ16–22 dimer and trimer

(2011) Phuong H. Nguyen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Atomic-Level Characterization of the Ensemble of the Aβ(1–42) Monomer in Water Using Unbiased Molecular Dynamics Simulations and Spectral Algorithms

(2010) Nikolaos G. Sgourakis et al.   JOURNAL OF MOLECULAR BIOLOGY

Polymorphism of Alzheimer's Aβ17-42 (p3) Oligomers: The Importance of the Turn Location and Its Conformation

(2009) Yifat Miller et al.   BIOPHYSICAL JOURNAL

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

(2009) Marcelo F. Masman et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

The effect of solvents on the conformations of Amyloid β-peptide (1–42) studied by molecular dynamics simulation

(2008) Cao Yang et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Comparative Molecular Dynamics Studies of Wild-Type and Oxidized Forms of Full-Length Alzheimer Amyloid β-Peptides Aβ(1−40) and Aβ(1−42)

(2008) Luciano Triguero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure and Dynamics of the Aβ21–30Peptide from the Interplay of NMR Experiments and Molecular Simulations

(2008) Nicolas L. Fawzi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

On the nucleation of amyloid β-protein monomer folding

(2005) Noel D. Lazo et al.   PROTEIN SCIENCE