Unfolding of the Amyloid β-Peptide Central Helix: Mechanistic Insights from Molecular Dynamics Simulations

Exploring the sequence determinants of amyloid structure using position-specific scoring matrices

(2010) Sebastian Maurer-Stroh et al.   NATURE METHODS

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

 -Helix targeting reduces amyloid-  peptide toxicity

(2009) C. Nerelius et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Efficient table lookup without inverse square roots for calculation of pair wise atomic interactions in classical simulations

(2008) Lennart Nilsson   JOURNAL OF COMPUTATIONAL CHEMISTRY

Prediction of Aggregation-Prone Regions in Structured Proteins

(2008) Gian Gaetano Tartaglia et al.   JOURNAL OF MOLECULAR BIOLOGY

Molecular Dynamics Study To Investigate the Effect of Chemical Substitutions of Methionine 35 on the Secondary Structure of the Amyloid β (Aβ(1−42)) Monomer in Aqueous Solution

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

Amyloid-β(29−42) Dimer Formations Studied by a Multicanonical−Multioverlap Molecular Dynamics Simulation

(2008) Satoru G. Itoh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Why Is the C-terminus of Aβ(1−42) More Unfolded than That of Aβ(1−40)? Clues from Hydrophobic Interaction

(2008) Liang Shen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Quantitative Prediction of Amyloid Fibril Growth of Short Peptides from Simulations: Calculating Association Constants To Dissect Side Chain Importance

(2008) Maarten G. Wolf et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Long-term effects of Aβ42 immunisation in Alzheimer's disease: follow-up of a randomised, placebo-controlled phase I trial

(2008) Clive Holmes et al.   LANCET