The Lipid-Chaperon Hypothesis: Atomistic simulations of Ab1-42, Ab1-40, hIAPP, rIAPP in water and in presence of a free-lipid in solution

Input files and trajectories of Ab1-42, Ab1-40, hIAPP, rIAPP in water, and in presence of a free-lipid (PC14, PC22) in solution. CHARMM36m ( CHARMM-specific TIP3P model for water) parameters are used for lipids and proteins for fully atomistic simulations.

The systems were simulated using GROMACS with the simulation parameters recommended for CHARMM36 (see md.mdp files).

[1]  DOI: 10.26434/CHEMRXIV.12770504.V1