five

Identification of the potassium binding site in serotonin transporter SERT: MD simulation data

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https://zenodo.org/record/10620540
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The uploads contain relevant data of the results reported in the supplement of the study https://www.biorxiv.org/content/10.1101/2023.12.29.573628v1, where the details of the methods are described. The archive contains relevant MD simulation data (topology and downsampled trajectory examples for each simulation system) in parameter and trajectory files: hSERT_inward-open_MD.tar.bz2 cryoEM hSERT structure 6DZZ in inward-open conformation, with predicted cation and protonation state combinations
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2024-02-29
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