F. Emil Thomasen, Tórur Skaalum, Ashutosh Kumar, Sriraksha Srinivasan, Stefano Vanni, Kresten Lindorff-Larsen Recalibration of protein interactions in Martini 3
The preprint is available at: https://doi.org/10.1101/2023.05.29.542689
Simulation data and starting structures for most simulations from the paper are available at: https://doi.org/10.5281/zenodo.8010043
Simulation data for protein-membrane simulations are available at: https://zenodo.org/record/8154919
Simulation data for IDP self-association simulations, single-chain simulations of OPN and htau40, and side chain analogue simulations are available at: https://doi.org/10.17894/ucph.42920365-b929-47c4-903f-5dad523edb35
Force field files for Martini 3.0 with interactions between protein beads rescaled by λPP=0.88 or interactions between protein-water beads rescaled by λPW=1.10 are available at: https://github.com/KULL-Centre/_2023_Thomasen_Martini/tree/main/force_field