Exploring ensemble structures of Alzheimer's amyloid β (1-42) monomer using linear regression for the MD simulation and NMR chemical shift
W. Yang, B. S. Kim, Y. Lin, D. Ito, J. H. Kim, Y.-H. Lee, W. Yu
This paper uses linear regression with NMR and MD simulation data to determine ensemble structures of Alzheimer's Aβ monomers, revealing β-sheet and partially-helical conformations and their implications for amyloidogenesis.
bioRxiv · Aug 23, 2021 · PreprintBiophysics