Modeling the relevant conformations of the mitochondrial ADP-ATP Carrier in complex with the ligands. Insight into the protein-ligand interactions.

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https://zenodo.org/record/14411853

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Six representative snapshots (PDB format) of the two replicas of the MD simulations of the ATP/ADP mitochondrial carrier in the c-state (ADP-bound) and in the m-state (ATP-bound): frame_md1af3_cstate_ADP; AlphaFold 3 model of the c-state in complex with ADP frame_md1docking_cstate_ADP; AlphaFold 2 model of the c-state in complex with ADP obtained by docking using GNINA frame_md1docking_mstate_ATP; ColabFold model of the m-state in complex with ATP obtained by docking using GNINA frame_md2af3_cstate_ADP; AlphaFold 3 model of the c-state in complex with ADP frame_md2docking_cstate_ADP; AlphaFold 2 model of the c-state in complex with ADP obtained by docking using GNINA frame_md2docking_mstate_ATP; ColabFold model of the m-state in complex with ATP obtained by docking using GNINA

创建时间：

2024-12-12