Dataset I for Publication: Sodium-Dependent Multivitamin Transporter Facilitates Brain and Neuronal Uptake of a Creatine Analogue

Desmond MD simulation Dataset I (1/2) related to publication: 

Sodium-Dependent Multivitamin Transporter Facilitates Brain and Neuronal Uptake of a Creatine Analogue

• cluster_poses.zip contains all PDB-format structure files representing the highest-ranked clusters from the MD trajectories of all tested ligand complexes
• docked_poses.zip contains all PDB-format structure files representing the original docked poses of all tested ligand complexes
• plots_smvt.zip contains .png plots for P-RMSD, L-RMSD, P-RMSF, and filtered normalized residue-ligand interaction frequencies
• smvt.zip contains the raw trajectory data of SMVT with all tested ligand complexes

Related datasets:

• https://doi.org/10.5281/zenodo.15236329 (Dataset II)