Simulation Datasets of 5HT3AR Bound to Two Partial Agonists

<p>Simulation Datasets Reported in the manuscript&nbsp;<strong>Structural Basis for Partial Agonism in 5HT3AR Receptors:</strong></p> <p>1. SMP100 PDB&nbsp;and MOL2 files:&nbsp;SMP.pdb&nbsp;(4.7&nbsp;KB) and SMP.mol2 (4.7 KB)<br> 2. SMP100 topology and parameter files: SMP.top (2.8 KB) and SMP.prm (4.7 KB)<br> 3. SMP-bound 5-HT3AR &nbsp;initial conformation&nbsp;from cryo-EM and prepared in Maestro: 5HT3AR-SMP_init.pdb&nbsp;(2.7&nbsp;MB)<br> 4. SMP-bound 5-HT3AR system PDB file and trajectory: 5HT3AR-SMP.pdb&nbsp;(14.4&nbsp;MB) and 5HT3AR-SMP.xtc (135.7&nbsp;MB)<br> 5. ALB148471&nbsp;PDB&nbsp;and MOL2 files: ALB.pdb&nbsp;(4.7&nbsp;KB) and ALB.mol2 (4.7 KB)<br> 6. ALB148471&nbsp;topology and parameter files: ALB.top (2.8 KB) and ALB.prm (4.7 KB)<br> 7. ALB-bound 5-HT3AR &nbsp;initial conformation&nbsp;from cryo-EM and prepared in Maestro: 5HT3AR-ALB_init.pdb&nbsp;(2.7&nbsp;MB)<br> 8. ALB-bound 5-HT3AR system PDB file and trajectory: 5HT3AR-ALB.pdb&nbsp;(14.4&nbsp;MB) and 5HT3AR-ALB.xtc (135.7&nbsp;MB)</p>