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

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

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

Homogeneous and Heterogeneous Tertiary Structure Ensembles of Amyloid-β Peptides

(2011) K. Aurelia Ball et al.   BIOCHEMISTRY

Coarse-grained models for protein aggregation

(2011) Chun Wu et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Membrane and surface interactions of Alzheimer’s Aβ peptide - insights into the mechanism of cytotoxicity

(2011) Thomas L. Williams et al.   FEBS Journal

Does amino acid sequence determine the properties of Aβ dimer?

(2011) Christopher Lockhart et al.   JOURNAL OF CHEMICAL PHYSICS

Amyloid-β peptide structure in aqueous solution varies with fragment size

(2011) Olivia Wise-Scira et al.   JOURNAL OF CHEMICAL PHYSICS

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

Optimizing Protein−Solvent Force Fields to Reproduce Intrinsic Conformational Preferences of Model Peptides

(2011) Paul S. Nerenberg et al.   Journal of Chemical Theory and Computation

Comparison of molecular dynamics simulation methods for amyloid β1–42 monomers containing d-aspartic acid residues for predicting retention times in chromatography

(2011) Akifumi Oda et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Monte Carlo Study of the Formation and Conformational Properties of Dimers of Aβ42 Variants

(2011) Simon Mitternacht et al.   JOURNAL OF MOLECULAR BIOLOGY

Structural Basis for Aβ1–42 Toxicity Inhibition by Aβ C-Terminal Fragments: Discrete Molecular Dynamics Study

(2011) B. Urbanc et al.   JOURNAL OF MOLECULAR BIOLOGY

Crystal Structure of the Amyloid-  p3 Fragment Provides a Model for Oligomer Formation in Alzheimer's Disease

(2011) V. A. Streltsov et al.   JOURNAL OF NEUROSCIENCE

Characterizing the Structural Behavior of Selected Aβ-42 Monomers with Different Solubilities

(2011) Camilo Velez-Vega et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lysine-Specific Molecular Tweezers Are Broad-Spectrum Inhibitors of Assembly and Toxicity of Amyloid Proteins

(2011) Sharmistha Sinha et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Soluble amyloid  -protein dimers isolated from Alzheimer cortex directly induce Tau hyperphosphorylation and neuritic degeneration

(2011) M. Jin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mapping Conformational Ensembles of Aβ Oligomers in Molecular Dynamics Simulations

(2010) Seongwon Kim et al.   BIOPHYSICAL JOURNAL

Multiscale investigation of chemical interference in proteins

(2010) Antonios Samiotakis et al.   JOURNAL OF CHEMICAL PHYSICS

Characterizing amyloid-beta protein misfolding from molecular dynamics simulations with explicit water

(2010) Chewook Lee et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Elucidation of Amyloid β-Protein Oligomerization Mechanisms: Discrete Molecular Dynamics Study

(2010) B. Urbanc et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Effect of Alzheimer’s Aβ Aggregation State on the Permeation of Biomimetic Lipid Vesicles

(2010) Thomas L. Williams et al.   LANGMUIR

Dynamic properties of pH-dependent structural organization of the amyloidogenic β-protein (1-40)

(2010) Alexander Rubinstein et al.   Prion

Interaction Between Amyloid-β (1–42) Peptide and Phospholipid Bilayers: A Molecular Dynamics Study

(2009) Charles H. Davis et al.   BIOPHYSICAL JOURNAL

Translational, rotational and internal dynamics of amyloid β-peptides (Aβ40 and Aβ42) from molecular dynamics simulations

(2009) Ram Prasad Bora et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulation study on conformational behavior of Aβ(1–40) and Aβ(1–42) in water and methanol

(2009) Cao Yang et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Probing the Effect of Amino-Terminal Truncation for Aβ1−40Peptides

(2009) Takako Takeda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Intrinsic Propensities of Amino Acid Residues in GxG Peptides Inferred from Amide I′ Band Profiles and NMR Scalar Coupling Constants

(2009) Andrew Hagarman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Amyloid-β protein oligomerization and the importance of tetramers and dodecamers in the aetiology of Alzheimer's disease

(2009) Summer L. Bernstein et al.   Nature Chemistry

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

Site-specific modification of Alzheimer's peptides by cholesterol oxidation products enhances aggregation energetics and neurotoxicity

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

Interpeptide interactions induce helix to strand structural transition in Aβ peptides

(2009) Takako Takeda et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

Amyloid β-Protein Assembly and Alzheimer Disease

(2008) Robin Roychaudhuri et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Intrinsic thermal expansivity and hydrational properties of amyloid peptide Aβ42 in liquid water

(2008) I. Brovchenko et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

ABSINTH: A new continuum solvation model for simulations of polypeptides in aqueous solutions

(2008) Andreas Vitalis et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Amyloid β-Protein Monomer Folding: Free-Energy Surfaces Reveal Alloform-Specific Differences

(2008) Mingfeng Yang et al.   JOURNAL OF MOLECULAR BIOLOGY

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

Effects of the Arctic (E22→G) Mutation on Amyloid β-Protein Folding: Discrete Molecular Dynamics Study

(2008) A. R. Lam et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the nucleation of amyloid β-protein monomer folding

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