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

Molecular-Dynamics Simulations for Amylo

Molecular-Dynamics Simulations for Amyloid β1–42 Monomer with D-Aspartic Acid Residues Using Continuous Solvent

✍ Akifumi Oda; Kana Kobayashi; Ohgi Takahashi 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 241 KB 👁 1 views

## Abstract Molecular‐dynamics simulations of amyloid‐__β__~1–42~ peptides including D‐aspartic acid residues were performed, and their three‐dimensional structures were compared. The simulations were performed in an aqueous environment using a continuous solvent model. In the structures obtained f