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

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

Allosteric stabilization of the amyloid-β peptide hairpin by the fluctuating N-terminal

(2016) Liang Xu et al.   CHEMICAL COMMUNICATIONS

Aβ41 Aggregates More Like Aβ40 than Like Aβ42: In Silico and in Vitro Study

(2016) Hoang Linh Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Atomic-Level Study of the Effects of O4 Molecules on the Structural Properties of Protofibrillar Aβ Trimer: β-Sheet Stabilization, Salt Bridge Protection, and Binding Mechanism

(2015) Yunxiang Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2015) Linh Tran et al.   PEPTIDES

pH-induced molecular shedding drives the formation of amyloid fibril-derived oligomers

(2015) Kevin W. Tipping et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The N-terminal Region of Amyloid β Controls the Aggregation Rate and Fibril Stability at Low pH Through a Gain of Function Mechanism

(2014) Kristoffer Brännström et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

(2012) R. Anandakrishnan et al.   NUCLEIC ACIDS RESEARCH

Homogeneous and Heterogeneous Tertiary Structure Ensembles of Amyloid-β Peptides

(2011) K. Aurelia Ball et al.   BIOCHEMISTRY

Perturbation of the Stability of Amyloid Fibrils through Alteration of Electrostatic Interactions

(2011) Sarah L. Shammas et al.   BIOPHYSICAL JOURNAL

Molecular Dynamics Simulations of Low-Ordered Alzheimer β-Amyloid Oligomers from Dimer to Hexamer on Self-Assembled Monolayers

(2011) Jun Zhao et al.   LANGMUIR

Effects of the English (H6R) and Tottori (D7N) Familial Alzheimer Disease Mutations on Amyloid β-Protein Assembly and Toxicity

(2010) Kenjiro Ono et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

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

Hollow core of Alzheimer's A 42 amyloid observed by cryoEM is relevant at physiological pH

(2010) Y. Miller et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

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

A buried lysine that titrates with a normal pKa: Role of conformational flexibility at the protein-water interface as a determinant of pKavalues

(2008) Michael J. Harms et al.   PROTEIN SCIENCE

The role of protein stability, solubility, and net charge in amyloid fibril formation

(2003) Jason P. Schmittschmitt et al.   PROTEIN SCIENCE