Insights into the mechanism of interaction between trehalose-conjugated beta-sheet breaker peptides and Aβ(1–42) fibrils by molecular dynamics simulations

In silico investigation and targeting of amyloid β oligomers of different size

(2013) Ida Autiero et al.   Molecular BioSystems

Binding of Congo Red to Amyloid Protofibrils of the Alzheimer Aβ9–40 Peptide Probed by Molecular Dynamics Simulations

(2012) Chun Wu et al.   BIOPHYSICAL JOURNAL

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Insight into Amyloid Structure Using Chemical Probes

(2011) Ashley A. Reinke et al.   Chemical Biology & Drug Design

Rational Design of β-Sheet Ligands Against Aβ42-Induced Toxicity

(2011) Katrin Hochdörffer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular simulations of carbohydrates and protein–carbohydrate interactions: motivation, issues and prospects

(2010) Elisa Fadda et al.   DRUG DISCOVERY TODAY

Amyloid-β42 Oligomer Structures from Fibrils: A Systematic Molecular Dynamics Study

(2010) Anselm H. C. Horn et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Assessing the Stability of Alzheimer’s Amyloid Protofibrils Using Molecular Dynamics

(2010) Justin A. Lemkul et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Binding of nonsteroidal anti-inflammatory drugs to Aβ fibril

(2010) Takako Takeda et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Molecular Dynamics Simulations of Ibuprofen Binding to Aβ Peptides

(2009) E. Prabhu Raman et al.   BIOPHYSICAL JOURNAL

Replica Exchange Simulations of the Thermodynamics of A β Fibril Growth

(2009) Takako Takeda et al.   BIOPHYSICAL JOURNAL

Probing Energetics of Aβ Fibril Elongation by Molecular Dynamics Simulations

(2009) Takako Takeda et al.   BIOPHYSICAL JOURNAL

Design and synthesis of new trehalose-conjugated pentapeptides as inhibitors of Aβ(1-42) fibrillogenesis and toxicity

(2009) Paolo De Bona et al.   JOURNAL OF PEPTIDE SCIENCE

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

Molecular Insight into the Inhibition Effect of Trehalose on the Nucleation and Elongation of Amyloid β-Peptide Oligomers

(2009) Fu-Feng Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modulation of amyloid-β aggregation and toxicity by inosose stereoisomers

(2008) Mark Nitz et al.   FEBS Journal

Amyloid Aggregation on Lipid Bilayers and Its Impact on Membrane Permeability

(2008) Ran Friedman et al.   JOURNAL OF MOLECULAR BIOLOGY