Simulation Datasets of 5HT3AR Bound to Two Partial Agonists
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https://zenodo.org/record/7967134
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资源简介：
Simulation Datasets Reported in the manuscript Structural Basis for Partial Agonism in 5HT3AR Receptors:
1. SMP100 PDB and MOL2 files: SMP.pdb (4.7 KB) and SMP.mol2 (4.7 KB)
2. SMP100 topology and parameter files: SMP.top (2.8 KB) and SMP.prm (4.7 KB)
3. SMP-bound 5-HT3AR initial conformation from cryo-EM and prepared in Maestro: 5HT3AR-SMP_init.pdb (2.7 MB)
4. SMP-bound 5-HT3AR system PDB file and trajectory: 5HT3AR-SMP.pdb (14.4 MB) and 5HT3AR-SMP.xtc (135.7 MB)
5. ALB148471 PDB and MOL2 files: ALB.pdb (4.7 KB) and ALB.mol2 (4.7 KB)
6. ALB148471 topology and parameter files: ALB.top (2.8 KB) and ALB.prm (4.7 KB)
7. ALB-bound 5-HT3AR initial conformation from cryo-EM and prepared in Maestro: 5HT3AR-ALB_init.pdb (2.7 MB)
8. ALB-bound 5-HT3AR system PDB file and trajectory: 5HT3AR-ALB.pdb (14.4 MB) and 5HT3AR-ALB.xtc (135.7 MB)
创建时间：
2023-05-25
