The MDFF–refined structures were selected to build protein-membrane systems for all-atom MD simulations. MD simulations were performed for a number of NDCBE monomers with different ion loads (Supplementary Table 1). CHARMM-GUI Membrane Builder protocol was used to build and equilibrate all ...
[9] Goldewijk, K. K., Beusen, A., Doelman, J., et al. Anthropogenic land use estimates for the Holocene-HYDE 3.2 [J]. Earth System Science Data, 2017, (9): 927-953. [10] Pongratz, J., Reick, C.,...