The Substrate Import Mechanism of the Human Serotonin Transporter (Q6706676)

Molecular dynamics simulations of the serotoninimport process of the human serotonin transporter.Article link:https://doi.org/10.1016/j.bpj.2022.01.024. SeTWT-5HT-stripped.pdb- stripped (no lipids or water) topology file for SERT-5HTtrajectories. MSM-SeTWT-5HT-500microstates-100samples.zipcontainstrajectory files of 100 structures of each microstates (500 total) from the SERT-5HT Markov state model inxtcformat. SeTWT-Na-stripped.pdb- stripped (no lipids or water) topology file for SERT-Na (no substrate) trajectories. MSM-SeTWT-Na-600microstates-100samples.zipcontainstrajectory files of 100 structures of each microstates (600 total) from the SERT-NaMarkov state model inxtcformat. Trajectories may be viewedin molecular graphics software such as VMD. Residue numbering in the trajectories is offset by 75 from the original SERT sequence.