| Autor: |
Mark J. Uline, Melissa A. Moss, Tao Wei, Nicholas P. van der Munnik |
| Rok vydání: |
2017 |
| Předmět: |
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| Zdroj: |
Biophysical Journal. 112:364a |
| ISSN: |
0006-3495 |
| Popis: |
Alzheimer's disease (AD) is the most common neurodegenerative disease. A mounting body of research implicates amyloid-β (Aβ) oligomers as an etiological factor in AD. However, the exact structure and stability of these species remains unclear. We have implemented an approach that uses Aβ conformations obtained from replica exchange molecular dynamics (REMD) simulations in conjunction with a statistical thermodynamic model to derive thermodynamic information on Aβ oligomer formation. Fully atomistic REMD simulations of Aβ were performed using Gromacs, the Charmm 36 force field and the TIP3P water model. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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